(2-methyl-1-oxidanyl-propan-2-yl)-(2-methylpropyl)-[[1-(phenylmethyl)pyrrol-2-yl]methyl]azanium

Systemtic Name: (2-methyl-1-oxidanyl-propan-2-yl)-(2-methylpropyl)-[[1-(phenylmethyl)pyrrol-2-yl]methyl]azanium Openeye Name: (1-benzylpyrrol-2-yl)methyl-(2-hydroxy-1,1-dimethyl-ethyl)-isobutyl-ammonium CAS Name: (1-hydroxy-2-methylpropan-2-yl)-(2-methylpropyl)-[[1-(phenylmethyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: (1-benzylpyrrol-2-yl)methyl-(1-hydroxy-2-methylpropan-2-yl)-(2-methylpropyl)azanium Traditional Name: (1-benzylpyrrol-2-yl)methyl-(2-hydroxy-1,1-dimethyl-ethyl)-isobutyl-ammonium Formula: C20H31N2O+ MolecularWeight: 315.47294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC1=CC=CN1CC2=CC=CC=C2)C(C)(C)CO

Isomeric SMILES

CC(C)C[NH+](CC1=CC=CN1CC2=CC=CC=C2)C(C)(C)CO

InChI

InChI=1S/C20H30N2O/c1-17(2)13-22(20(3,4)16-23)15-19-11-8-12-21(19)14-18-9-6-5-7-10-18/h5-12,17,23H,13-16H2,1-4H3/p+1