2-hydroxyethyl-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: 2-hydroxyethyl-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-(2-hydroxyethyl)-[[1-(m-tolyl)pyrrol-2-yl]methyl]ammonium CAS Name: 2-hydroxyethyl-[[1-(3-methylphenyl)-2-pyrrolyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(2-hydroxyethyl)-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]azanium Traditional Name: benzyl-(2-hydroxyethyl)-[[1-(m-tolyl)pyrrol-2-yl]methyl]ammonium Formula: C21H25N2O+ MolecularWeight: 321.436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CC=C2C[NH+](CCO)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CC=C2C[NH+](CCO)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O/c1-18-7-5-10-20(15-18)23-12-6-11-21(23)17-22(13-14-24)16-19-8-3-2-4-9-19/h2-12,15,24H,13-14,16-17H2,1H3/p+1