2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)ethanone Openeye Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-benzhydrylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-benzhydrylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(4-benzhydrylpiperazin-1-ium-1-yl)ethanone Formula: C27H32N3O2+ MolecularWeight: 430.56188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O2/c1-19-25(21(3)31)20(2)28-26(19)24(32)18-29-14-16-30(17-15-29)27(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,27-28H,14-18H2,1-3H3/p+1