2-[(4-cyano-7-methyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-3-yl)sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[(4-cyano-7-methyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-3-yl)sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[(4-cyano-7-methyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-3-yl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[4-cyano-7-methyl-1-(1-pyrrolidinyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[(4-cyano-7-methyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-3-yl)sulfanyl]-N-phenethylacetamide Traditional Name: 2-[(4-cyano-7-methyl-1-pyrrolidino-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-3-yl)thio]-N-phenethyl-acetamide Formula: C24H31N5OS+2 MolecularWeight: 437.60084

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C(=[NH+]C(=C2C1)N3CCCC3)SCC(=O)NCCC4=CC=CC=C4)C#N

Isomeric SMILES

C[NH+]1CCC2=C(C(=[NH+]C(=C2C1)N3CCCC3)SCC(=O)NCCC4=CC=CC=C4)C#N

InChI

InChI=1S/C24H29N5OS/c1-28-14-10-19-20(15-25)24(27-23(21(19)16-28)29-12-5-6-13-29)31-17-22(30)26-11-9-18-7-3-2-4-8-18/h2-4,7-8H,5-6,9-14,16-17H2,1H3,(H,26,30)/p+2