(E)-1-(3,4-dimethylphenyl)-3-(3-morpholin-4-ylpropylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: (E)-1-(3,4-dimethylphenyl)-3-(3-morpholin-4-ylpropylamino)-2-pyridin-1-ium-1-yl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: (E)-1-(3,4-dimethylphenyl)-3-(3-morpholinopropylamino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate CAS Name: (E)-1-(3,4-dimethylphenyl)-3-[3-(4-morpholinyl)propylamino]-2-(1-pyridin-1-iumyl)-3-sulfanylidene-1-propen-1-olate IUPAC Name: (E)-1-(3,4-dimethylphenyl)-3-(3-morpholin-4-ylpropylamino)-2-pyridin-1-ium-1-yl-3-sulfanylideneprop-1-en-1-olate Traditional Name: (E)-1-(3,4-dimethylphenyl)-3-(3-morpholinopropylamino)-2-pyridin-1-ium-1-yl-3-thioxo-prop-1-en-1-olate Formula: C23H29N3O2S MolecularWeight: 411.56026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=C(C(=S)NCCCN2CCOCC2)[N+]3=CC=CC=C3)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)/C(=C(/C(=S)NCCCN2CCOCC2)\[N+]3=CC=CC=C3)/[O-])C

InChI

InChI=1S/C23H29N3O2S/c1-18-7-8-20(17-19(18)2)22(27)21(26-11-4-3-5-12-26)23(29)24-9-6-10-25-13-15-28-16-14-25/h3-5,7-8,11-12,17H,6,9-10,13-16H2,1-2H3,(H-,24,27,29)