6,6,7-trimethyl-1-morpholin-4-yl-3-(phenylmethylsulfanyl)-7,8-dihydro-5H-2,7-naphthyridin-7-ium-4-carbonitrile

Systemtic Name: 6,6,7-trimethyl-1-morpholin-4-yl-3-(phenylmethylsulfanyl)-7,8-dihydro-5H-2,7-naphthyridin-7-ium-4-carbonitrile Openeye Name: 3-benzylsulfanyl-6,6,7-trimethyl-1-morpholino-7,8-dihydro-5H-2,7-naphthyridin-7-ium-4-carbonitrile CAS Name: 6,6,7-trimethyl-1-(4-morpholinyl)-3-(phenylmethylthio)-7,8-dihydro-5H-2,7-naphthyridin-7-ium-4-carbonitrile IUPAC Name: 3-benzylsulfanyl-6,6,7-trimethyl-1-morpholin-4-yl-7,8-dihydro-5H-2,7-naphthyridin-7-ium-4-carbonitrile Traditional Name: 3-(benzylthio)-6,6,7-trimethyl-1-morpholino-7,8-dihydro-5H-2,7-naphthyridin-7-ium-4-carbonitrile Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=NC(=C2C[NH+]1C)N3CCOCC3)SCC4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=NC(=C2C[NH+]1C)N3CCOCC3)SCC4=CC=CC=C4)C#N)C

InChI

InChI=1S/C23H28N4OS/c1-23(2)13-18-19(14-24)22(29-16-17-7-5-4-6-8-17)25-21(20(18)15-26(23)3)27-9-11-28-12-10-27/h4-8H,9-13,15-16H2,1-3H3/p+1