2-acetamidoethyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium

Systemtic Name: 2-acetamidoethyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium Openeye Name: 2-acetamidoethyl-[(4-hydroxy-3-methoxy-phenyl)methyl]ammonium CAS Name: 2-acetamidoethyl-[(4-hydroxy-3-methoxyphenyl)methyl]ammonium IUPAC Name: 2-acetamidoethyl-[(4-hydroxy-3-methoxyphenyl)methyl]azanium Traditional Name: 2-acetamidoethyl(vanillyl)ammonium Formula: C12H19N2O3+ MolecularWeight: 239.29086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC[NH2+]CC1=CC(=C(C=C1)O)OC

Isomeric SMILES

CC(=O)NCC[NH2+]CC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C12H18N2O3/c1-9(15)14-6-5-13-8-10-3-4-11(16)12(7-10)17-2/h3-4,7,13,16H,5-6,8H2,1-2H3,(H,14,15)/p+1