1-(4-butylphenyl)-3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione

Systemtic Name: 1-(4-butylphenyl)-3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-4-(4-methylphenyl)sulfanyl-pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-4-(p-tolylsulfanyl)pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-4-[(4-methylphenyl)thio]pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-4-(4-methylphenyl)sulfanylpyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-4-(p-tolylthio)-3-pyrroline-2,5-quinone Formula: C28H36N3O2S+ MolecularWeight: 478.66934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)N(C)C4CC[NH+](CC4)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)C)N(C)C4CC[NH+](CC4)C

InChI

InChI=1S/C28H35N3O2S/c1-5-6-7-21-10-12-23(13-11-21)31-27(32)25(30(4)22-16-18-29(3)19-17-22)26(28(31)33)34-24-14-8-20(2)9-15-24/h8-15,22H,5-7,16-19H2,1-4H3/p+1