3-methylbutyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-[(2R)-2-oxidanylbutyl]azanium

Systemtic Name: 3-methylbutyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-[(2R)-2-oxidanylbutyl]azanium Openeye Name: [(2R)-2-hydroxybutyl]-isopentyl-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: [(2R)-2-hydroxybutyl]-(3-methylbutyl)-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: [(2R)-2-hydroxybutyl]-(3-methylbutyl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: [(2R)-2-hydroxybutyl]-isoamyl-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C22H35N2O+ MolecularWeight: 343.5261

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C[NH+](CCC(C)C)CC1=CC=CN1CC2=CC=CC=C2C)O

Isomeric SMILES

CC[C@H](C[NH+](CCC(C)C)CC1=CC=CN1CC2=CC=CC=C2C)O

InChI

InChI=1S/C22H34N2O/c1-5-22(25)17-23(14-12-18(2)3)16-21-11-8-13-24(21)15-20-10-7-6-9-19(20)4/h6-11,13,18,22,25H,5,12,14-17H2,1-4H3/p+1/t22-/m1/s1