1-cyclopropyl-2,5-dimethyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]pyrrole-3-carboxamide

Systemtic Name: 1-cyclopropyl-2,5-dimethyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]pyrrole-3-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxamide CAS Name: 1-cyclopropyl-2,5-dimethyl-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-3-pyrrolecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxamide Formula: C27H33N4O+ MolecularWeight: 429.57712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H32N4O/c1-20-18-26(21(2)31(20)25-12-13-25)27(32)28-23-8-10-24(11-9-23)30-16-14-29(15-17-30)19-22-6-4-3-5-7-22/h3-11,18,25H,12-17,19H2,1-2H3,(H,28,32)/p+1