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

Systemtic Name: 1-[1-(diphenylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone Openeye Name: 1-(1-benzhydryl-2,5-dimethyl-pyrrol-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone CAS Name: 1-[1-(diphenylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-(4-methyl-1-piperazine-1,4-diiumyl)ethanone IUPAC Name: 1-(1-benzhydryl-2,5-dimethylpyrrol-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone Traditional Name: 1-(1-benzhydryl-2,5-dimethyl-pyrrol-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone Formula: C26H33N3O+2 MolecularWeight: 403.55972

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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+]4CC[NH+](CC4)C

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O/c1-20-18-24(25(30)19-28-16-14-27(3)15-17-28)21(2)29(20)26(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,18,26H,14-17,19H2,1-3H3/p+2