1,4-dithiepan-6-yl-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]azanium

Systemtic Name: 1,4-dithiepan-6-yl-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]azanium Openeye Name: 1,4-dithiepan-6-yl-[(2-morpholinopyridin-1-ium-3-yl)methyl]ammonium CAS Name: 1,4-dithiepan-6-yl-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]ammonium IUPAC Name: 1,4-dithiepan-6-yl-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]azanium Traditional Name: 1,4-dithiepan-6-yl-[(2-morpholinopyridin-1-ium-3-yl)methyl]ammonium Formula: C15H25N3OS2+2 MolecularWeight: 327.5085

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=[NH+]2)C[NH2+]C3CSCCSC3

Isomeric SMILES

C1COCCN1C2=C(C=CC=[NH+]2)C[NH2+]C3CSCCSC3

InChI

InChI=1S/C15H23N3OS2/c1-2-13(10-17-14-11-20-8-9-21-12-14)15(16-3-1)18-4-6-19-7-5-18/h1-3,14,17H,4-12H2/p+2