[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-[(2R)-2-oxidanylbutyl]-prop-2-enyl-azanium

Systemtic Name: [1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-[(2R)-2-oxidanylbutyl]-prop-2-enyl-azanium Openeye Name: allyl-[(2R)-2-hydroxybutyl]-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: [(2R)-2-hydroxybutyl]-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-prop-2-enylammonium IUPAC Name: [(2R)-2-hydroxybutyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-prop-2-enylazanium Traditional Name: allyl-[(2R)-2-hydroxybutyl]-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C20H29N2O+ MolecularWeight: 313.45706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O/c1-4-12-21(16-20(23)5-2)15-19-11-8-13-22(19)14-18-10-7-6-9-17(18)3/h4,6-11,13,20,23H,1,5,12,14-16H2,2-3H3/p+1/t20-/m1/s1