3-methylbutyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]azanium

Systemtic Name: 3-methylbutyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]azanium Openeye Name: [(2R)-3-allyloxy-2-hydroxy-propyl]-isopentyl-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: [(2R)-2-hydroxy-3-prop-2-enoxypropyl]-(3-methylbutyl)-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: [(2R)-2-hydroxy-3-prop-2-enoxypropyl]-(3-methylbutyl)-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: [(2R)-3-allyloxy-2-hydroxy-propyl]-isoamyl-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C24H37N2O2+ MolecularWeight: 385.56278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N2O2/c1-5-15-28-19-24(27)18-25(14-12-20(2)3)17-23-11-8-13-26(23)16-22-10-7-6-9-21(22)4/h5-11,13,20,24,27H,1,12,14-19H2,2-4H3/p+1/t24-/m1/s1