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

Systemtic Name: [1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-[(2R)-2-oxidanyl-3-phenylmethoxy-propyl]-prop-2-enyl-azanium Openeye Name: allyl-[(2R)-3-benzyloxy-2-hydroxy-propyl]-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: [(2R)-2-hydroxy-3-phenylmethoxypropyl]-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-prop-2-enylammonium IUPAC Name: [(2R)-2-hydroxy-3-phenylmethoxypropyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-prop-2-enylazanium Traditional Name: allyl-[(2R)-3-benzoxy-2-hydroxy-propyl]-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C26H33N2O2+ MolecularWeight: 405.55242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2C[NH+](CC=C)CC(COCC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2C[NH+](CC=C)C[C@H](COCC3=CC=CC=C3)O

InChI

InChI=1S/C26H32N2O2/c1-3-15-27(19-26(29)21-30-20-23-11-5-4-6-12-23)18-25-14-9-16-28(25)17-24-13-8-7-10-22(24)2/h3-14,16,26,29H,1,15,17-21H2,2H3/p+1/t26-/m1/s1