7-methyl-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile

Systemtic Name: 7-methyl-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Openeye Name: 7-methyl-3-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile CAS Name: 7-methyl-3-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-1-(1-pyrrolidinyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile IUPAC Name: 7-methyl-3-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Traditional Name: 3-[(2-keto-2-piperidino-ethyl)thio]-7-methyl-1-pyrrolidino-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Formula: C21H31N5OS+2 MolecularWeight: 401.56874

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C(=[NH+]C(=C2C1)N3CCCC3)SCC(=O)N4CCCCC4)C#N

Isomeric SMILES

C[NH+]1CCC2=C(C(=[NH+]C(=C2C1)N3CCCC3)SCC(=O)N4CCCCC4)C#N

InChI

InChI=1S/C21H29N5OS/c1-24-12-7-16-17(13-22)21(28-15-19(27)25-8-3-2-4-9-25)23-20(18(16)14-24)26-10-5-6-11-26/h2-12,14-15H2,1H3/p+2