3-methylbutyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-[(2S)-2-oxidanylpropyl]azanium

Systemtic Name: 3-methylbutyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-[(2S)-2-oxidanylpropyl]azanium Openeye Name: [(2S)-2-hydroxypropyl]-isopentyl-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: [(2S)-2-hydroxypropyl]-(3-methylbutyl)-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: [(2S)-2-hydroxypropyl]-(3-methylbutyl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: [(2S)-2-hydroxypropyl]-isoamyl-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C21H33N2O+ MolecularWeight: 329.49952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2C[NH+](CCC(C)C)C[C@H](C)O

InChI

InChI=1S/C21H32N2O/c1-17(2)11-13-22(14-19(4)24)16-21-10-7-12-23(21)15-20-9-6-5-8-18(20)3/h5-10,12,17,19,24H,11,13-16H2,1-4H3/p+1/t19-/m0/s1