3-chloranyl-1-(4-ethoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-1-(4-ethoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrrole-2,5-dione Openeye Name: 3-chloro-1-(4-ethoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(4-ethoxyphenyl)-4-(4-methyl-1-piperazin-4-iumyl)pyrrole-2,5-dione IUPAC Name: 3-chloro-1-(4-ethoxyphenyl)-4-(4-methylpiperazin-4-ium-1-yl)pyrrole-2,5-dione Traditional Name: 3-chloro-4-(4-methylpiperazin-4-ium-1-yl)-1-p-phenetyl-3-pyrroline-2,5-quinone Formula: C17H21ClN3O3+ MolecularWeight: 350.81994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H20ClN3O3/c1-3-24-13-6-4-12(5-7-13)21-16(22)14(18)15(17(21)23)20-10-8-19(2)9-11-20/h4-7H,3,8-11H2,1-2H3/p+1