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

Systemtic Name: 1-(4-butylphenyl)-3-chloranyl-4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyrrole-2,5-dione Openeye Name: 1-(4-butylphenyl)-3-chloro-4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyrrole-2,5-dione CAS Name: 1-(4-butylphenyl)-3-chloro-4-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]pyrrole-2,5-dione IUPAC Name: 1-(4-butylphenyl)-3-chloro-4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]pyrrole-2,5-dione Traditional Name: 1-(4-butylphenyl)-3-chloro-4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]-3-pyrroline-2,5-quinone Formula: C21H29ClN3O2+ MolecularWeight: 390.92686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N(C)C3CC[NH+](CC3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N(C)C3CC[NH+](CC3)C

InChI

InChI=1S/C21H28ClN3O2/c1-4-5-6-15-7-9-17(10-8-15)25-20(26)18(22)19(21(25)27)24(3)16-11-13-23(2)14-12-16/h7-10,16H,4-6,11-14H2,1-3H3/p+1