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

Systemtic Name: 7-methyl-1-morpholin-4-yl-3-(phenylmethylsulfanyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Openeye Name: 3-benzylsulfanyl-7-methyl-1-morpholino-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile CAS Name: 7-methyl-1-(4-morpholinyl)-3-(phenylmethylthio)-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile IUPAC Name: 3-benzylsulfanyl-7-methyl-1-morpholin-4-yl-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Traditional Name: 3-(benzylthio)-7-methyl-1-morpholino-5,6,7,8-tetrahydro-2,7-naphthyridine-2,7-diium-4-carbonitrile Formula: C21H26N4OS+2 MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC2=C(C(=[NH+]C(=C2C1)N3CCOCC3)SCC4=CC=CC=C4)C#N

Isomeric SMILES

C[NH+]1CCC2=C(C(=[NH+]C(=C2C1)N3CCOCC3)SCC4=CC=CC=C4)C#N

InChI

InChI=1S/C21H24N4OS/c1-24-8-7-17-18(13-22)21(27-15-16-5-3-2-4-6-16)23-20(19(17)14-24)25-9-11-26-12-10-25/h2-6H,7-12,14-15H2,1H3/p+2