2-[(4-cyano-7-methyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-3-yl)sulfanyl]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]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]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]acetamide 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]acetamide Traditional Name: 2-[(4-cyano-7-methyl-1-pyrrolidino-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-3-yl)thio]acetamide Formula: C16H23N5OS+2 MolecularWeight: 333.45172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5OS/c1-20-7-4-11-12(8-17)16(23-10-14(18)22)19-15(13(11)9-20)21-5-2-3-6-21/h2-7,9-10H2,1H3,(H2,18,22)/p+2