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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C2=CC=CC=C2)C3=CC=CC=C3)C)C(=O)C[NH+]4CCN(CC4)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1C(C2=CC=CC=C2)C3=CC=CC=C3)C)C(=O)C[NH+]4CCN(CC4)C(=O)C

InChI

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