3-methylbutyl-(2-methyl-1-oxidanyl-propan-2-yl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium

Systemtic Name: 3-methylbutyl-(2-methyl-1-oxidanyl-propan-2-yl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Openeye Name: (2-hydroxy-1,1-dimethyl-ethyl)-isopentyl-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: (1-hydroxy-2-methylpropan-2-yl)-(3-methylbutyl)-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: (1-hydroxy-2-methylpropan-2-yl)-(3-methylbutyl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: (2-hydroxy-1,1-dimethyl-ethyl)-isoamyl-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C22H35N2O+ MolecularWeight: 343.5261

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2C[NH+](CCC(C)C)C(C)(C)CO

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2C[NH+](CCC(C)C)C(C)(C)CO

InChI

InChI=1S/C22H34N2O/c1-18(2)12-14-24(22(4,5)17-25)16-21-11-8-13-23(21)15-20-10-7-6-9-19(20)3/h6-11,13,18,25H,12,14-17H2,1-5H3/p+1