(E)-[(3S,3aS,7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-5-methyl-3a,4,5,6-tetrahydro-3H-pyrazolo[4,3-c]pyridine-2,5-diium-2-ylidene]-methylsulfanyl-methanamine dichloride

Systemtic Name: (E)-[(3S,3aS,7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-5-methyl-3a,4,5,6-tetrahydro-3H-pyrazolo[4,3-c]pyridine-2,5-diium-2-ylidene]-methylsulfanyl-methanamine dichloride Openeye Name: (E)-[(3S,3aS,7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylene]-5-methyl-3a,4,5,6-tetrahydro-3H-pyrazolo[4,3-c]pyridine-2,5-diium-2-ylidene]-methylsulfanyl-methanamine dichloride CAS Name: (E)-[(3S,3aS,7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-5-methyl-3a,4,5,6-tetrahydro-3H-pyrazolo[4,3-c]pyridine-2,5-diium-2-ylidene]-(methylthio)methanamine dichloride IUPAC Name: (E)-[(3S,3aS,7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-5-methyl-3a,4,5,6-tetrahydro-3H-pyrazolo[4,3-c]pyridine-2,5-diium-2-ylidene]-methylsulfanylmethanamine dichloride Traditional Name: [(E)-[(3S,3aS,7E)-3-(4-methoxyphenyl)-5-methyl-7-p-anisylidene-3a,4,5,6-tetrahydro-3H-pyrazolo[4,3-c]pyridine-2,5-diium-2-ylidene]-(methylthio)methyl]amine dichloride Formula: C24H30Cl2N4O2S MolecularWeight: 509.4916

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC2C([N+](=C(N)SC)N=C2C(=CC3=CC=C(C=C3)OC)C1)C4=CC=C(C=C4)OC.[Cl-].[Cl-]

Isomeric SMILES

C[NH+]1C[C@H]2[C@H](/[N+](=C(/N)\SC)/N=C2/C(=C/C3=CC=C(C=C3)OC)/C1)C4=CC=C(C=C4)OC.[Cl-].[Cl-]

InChI

InChI=1S/C24H28N4O2S.2ClH/c1-27-14-18(13-16-5-9-19(29-2)10-6-16)22-21(15-27)23(28(26-22)24(25)31-4)17-7-11-20(30-3)12-8-17;;/h5-13,21,23,25H,14-15H2,1-4H3;2*1H/b18-13+;;/t21-,23-;;/m1../s1