(4-acetamidophenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: (4-acetamidophenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: (4-acetamidophenyl)methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: (4-acetamidophenyl)methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: (4-acetamidophenyl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: (4-acetamidobenzyl)-[(1R)-1-methylolpropyl]ammonium Formula: C13H21N2O2+ MolecularWeight: 237.31804

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]CC1=CC=C(C=C1)NC(=O)C

Isomeric SMILES

CC[C@H](CO)[NH2+]CC1=CC=C(C=C1)NC(=O)C

InChI

InChI=1S/C13H20N2O2/c1-3-12(9-16)14-8-11-4-6-13(7-5-11)15-10(2)17/h4-7,12,14,16H,3,8-9H2,1-2H3,(H,15,17)/p+1/t12-/m1/s1