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

Systemtic Name: (4-methoxycarbonylphenyl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: [(1R)-1-(hydroxymethyl)propyl]-[(4-methoxycarbonylphenyl)methyl]ammonium CAS Name: [(2R)-1-hydroxybutan-2-yl]-[(4-methoxycarbonylphenyl)methyl]ammonium IUPAC Name: [(2R)-1-hydroxybutan-2-yl]-[(4-methoxycarbonylphenyl)methyl]azanium Traditional Name: (4-carbomethoxybenzyl)-[(1R)-1-methylolpropyl]ammonium Formula: C13H20NO3+ MolecularWeight: 238.3028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3/c1-3-12(9-15)14-8-10-4-6-11(7-5-10)13(16)17-2/h4-7,12,14-15H,3,8-9H2,1-2H3/p+1/t12-/m1/s1