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

Systemtic Name: 3-chloranyl-1-phenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrrole-2,5-dione Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-1-phenyl-pyrrole-2,5-dione CAS Name: 3-chloro-1-phenyl-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrrole-2,5-dione IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-1-phenylpyrrole-2,5-dione Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)-4-chloro-1-phenyl-3-pyrroline-2,5-quinone Formula: C21H21ClN3O2+ MolecularWeight: 382.86334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H20ClN3O2/c22-18-19(21(27)25(20(18)26)17-9-5-2-6-10-17)24-13-11-23(12-14-24)15-16-7-3-1-4-8-16/h1-10H,11-15H2/p+1