3-chloranyl-1-(phenylmethyl)-4-[(3-piperazin-4-ium-1-ylcarbonylphenyl)amino]pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-1-(phenylmethyl)-4-[(3-piperazin-4-ium-1-ylcarbonylphenyl)amino]pyrrole-2,5-dione Openeye Name: 1-benzyl-3-chloro-4-[3-(piperazin-4-ium-1-carbonyl)anilino]pyrrole-2,5-dione CAS Name: 3-chloro-4-[3-[oxo(1-piperazin-4-iumyl)methyl]anilino]-1-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-chloro-4-[3-(piperazin-4-ium-1-carbonyl)anilino]pyrrole-2,5-dione Traditional Name: 1-benzyl-3-chloro-4-[3-(piperazin-4-ium-1-carbonyl)anilino]-3-pyrroline-2,5-quinone Formula: C22H22ClN4O3+ MolecularWeight: 425.88808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H21ClN4O3/c23-18-19(22(30)27(21(18)29)14-15-5-2-1-3-6-15)25-17-8-4-7-16(13-17)20(28)26-11-9-24-10-12-26/h1-8,13,24-25H,9-12,14H2/p+1