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

Systemtic Name: 2-methylpropyl-[(2R)-2-oxidanylpentyl]-[[1-(phenylmethyl)pyrrol-2-yl]methyl]azanium Openeye Name: (1-benzylpyrrol-2-yl)methyl-[(2R)-2-hydroxypentyl]-isobutyl-ammonium CAS Name: [(2R)-2-hydroxypentyl]-(2-methylpropyl)-[[1-(phenylmethyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: (1-benzylpyrrol-2-yl)methyl-[(2R)-2-hydroxypentyl]-(2-methylpropyl)azanium Traditional Name: (1-benzylpyrrol-2-yl)methyl-[(2R)-2-hydroxypentyl]-isobutyl-ammonium Formula: C21H33N2O+ MolecularWeight: 329.49952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O/c1-4-9-21(24)17-22(14-18(2)3)16-20-12-8-13-23(20)15-19-10-6-5-7-11-19/h5-8,10-13,18,21,24H,4,9,14-17H2,1-3H3/p+1/t21-/m1/s1