7-methyl-3-(phenylmethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile

Systemtic Name: 7-methyl-3-(phenylmethylsulfanyl)-1-pyrrolidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Openeye Name: 3-benzylsulfanyl-7-methyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile CAS Name: 7-methyl-3-(phenylmethylthio)-1-(1-pyrrolidinyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile IUPAC Name: 3-benzylsulfanyl-7-methyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Traditional Name: 3-(benzylthio)-7-methyl-1-pyrrolidino-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Formula: C21H26N4S+2 MolecularWeight: 366.52294

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C(=[NH+]C(=C2C1)N3CCCC3)SCC4=CC=CC=C4)C#N

Isomeric SMILES

C[NH+]1CCC2=C(C(=[NH+]C(=C2C1)N3CCCC3)SCC4=CC=CC=C4)C#N

InChI

InChI=1S/C21H24N4S/c1-24-12-9-17-18(13-22)21(26-15-16-7-3-2-4-8-16)23-20(19(17)14-24)25-10-5-6-11-25/h2-4,7-8H,5-6,9-12,14-15H2,1H3/p+2