2-methylpropyl-[(2R)-2-oxidanylbutyl]-[[1-(phenylmethyl)pyrrol-2-yl]methyl]azanium

Systemtic Name: 2-methylpropyl-[(2R)-2-oxidanylbutyl]-[[1-(phenylmethyl)pyrrol-2-yl]methyl]azanium Openeye Name: (1-benzylpyrrol-2-yl)methyl-[(2R)-2-hydroxybutyl]-isobutyl-ammonium CAS Name: [(2R)-2-hydroxybutyl]-(2-methylpropyl)-[[1-(phenylmethyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: (1-benzylpyrrol-2-yl)methyl-[(2R)-2-hydroxybutyl]-(2-methylpropyl)azanium Traditional Name: (1-benzylpyrrol-2-yl)methyl-[(2R)-2-hydroxybutyl]-isobutyl-ammonium Formula: C20H31N2O+ MolecularWeight: 315.47294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C[NH+](CC1=CC=CN1CC2=CC=CC=C2)CC(C)C)O

InChI

InChI=1S/C20H30N2O/c1-4-20(23)16-21(13-17(2)3)15-19-11-8-12-22(19)14-18-9-6-5-7-10-18/h5-12,17,20,23H,4,13-16H2,1-3H3/p+1/t20-/m1/s1