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

Systemtic Name: [(2R)-2-oxidanylbutyl]-[[1-(phenylmethyl)pyrrol-2-yl]methyl]-prop-2-enyl-azanium Openeye Name: allyl-[(1-benzylpyrrol-2-yl)methyl]-[(2R)-2-hydroxybutyl]ammonium CAS Name: [(2R)-2-hydroxybutyl]-[[1-(phenylmethyl)-2-pyrrolyl]methyl]-prop-2-enylammonium IUPAC Name: (1-benzylpyrrol-2-yl)methyl-[(2R)-2-hydroxybutyl]-prop-2-enylazanium Traditional Name: allyl-[(1-benzylpyrrol-2-yl)methyl]-[(2R)-2-hydroxybutyl]ammonium Formula: C19H27N2O+ MolecularWeight: 299.43048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O/c1-3-12-20(16-19(22)4-2)15-18-11-8-13-21(18)14-17-9-6-5-7-10-17/h3,5-11,13,19,22H,1,4,12,14-16H2,2H3/p+1/t19-/m1/s1