N-[2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanoyl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanoyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[2-(4-benzhydrylpiperazin-1-ium-1-yl)acetyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-1-oxoethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[2-(4-benzhydrylpiperazin-1-ium-1-yl)acetyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-(4-benzhydrylpiperazin-1-ium-1-yl)acetyl]-1-methyl-pyrrole-2-carboxamide Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2/c1-27-14-8-13-22(27)25(31)26-23(30)19-28-15-17-29(18-16-28)24(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,24H,15-19H2,1H3,(H,26,30,31)/p+1