N-methyl-4-oxidanylidene-3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-methyl-4-oxidanylidene-3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)phthalazine-1-carboxamide Openeye Name: N-methyl-4-oxo-3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)phthalazine-1-carboxamide CAS Name: N-methyl-4-oxo-3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)-1-phthalazinecarboxamide IUPAC Name: N-methyl-4-oxo-3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)phthalazine-1-carboxamide Traditional Name: 4-keto-N-methyl-3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium-5-ylmethyl)phthalazine-1-carboxamide Formula: C18H19N4O2S+ MolecularWeight: 355.43406

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+]3CCC4=C(C3)C=CS4

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C[NH+]3CCC4=C(C3)C=CS4

InChI

InChI=1S/C18H18N4O2S/c1-19-17(23)16-13-4-2-3-5-14(13)18(24)22(20-16)11-21-8-6-15-12(10-21)7-9-25-15/h2-5,7,9H,6,8,10-11H2,1H3,(H,19,23)/p+1