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

Systemtic Name: 1-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]-4-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-4-[[1-(m-tolyl)pyrrol-2-yl]methyl]piperazin-4-ium CAS Name: 1-[[1-(3-methylphenyl)-2-pyrrolyl]methyl]-4-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-4-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]piperazin-4-ium Traditional Name: 1-benzyl-4-[[1-(m-tolyl)pyrrol-2-yl]methyl]piperazin-4-ium Formula: C23H28N3+ MolecularWeight: 346.48852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CC=C2C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CC=C2C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3/c1-20-7-5-10-22(17-20)26-12-6-11-23(26)19-25-15-13-24(14-16-25)18-21-8-3-2-4-9-21/h2-12,17H,13-16,18-19H2,1H3/p+1