1-(diphenylmethyl)-4-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(diphenylmethyl)-4-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]piperazin-4-ium Openeye Name: 1-benzhydryl-4-[[1-(m-tolyl)pyrrol-2-yl]methyl]piperazin-4-ium CAS Name: 1-(diphenylmethyl)-4-[[1-(3-methylphenyl)-2-pyrrolyl]methyl]piperazin-4-ium IUPAC Name: 1-benzhydryl-4-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]piperazin-4-ium Traditional Name: 1-benzhydryl-4-[[1-(m-tolyl)pyrrol-2-yl]methyl]piperazin-4-ium Formula: C29H32N3+ MolecularWeight: 422.58448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CC=C2C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CC=C2C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3/c1-24-10-8-15-27(22-24)32-17-9-16-28(32)23-30-18-20-31(21-19-30)29(25-11-4-2-5-12-25)26-13-6-3-7-14-26/h2-17,22,29H,18-21,23H2,1H3/p+1