[(2R,3R)-2-methoxycarbonyl-3-oxidanyl-3-pyridin-4-yl-propyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2R,3R)-2-methoxycarbonyl-3-oxidanyl-3-pyridin-4-yl-propyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2R)-2-[(R)-hydroxy(4-pyridyl)methyl]-3-methoxy-3-oxo-propyl]-methyl-ammonium CAS Name: [(2R)-2-[(R)-hydroxy(pyridin-4-yl)methyl]-3-methoxy-3-oxopropyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2R)-2-[(R)-hydroxy(pyridin-4-yl)methyl]-3-methoxy-3-oxopropyl]-methylazanium Traditional Name: benzyl-[(2R,3R)-2-carbomethoxy-3-hydroxy-3-(4-pyridyl)propyl]-methyl-ammonium Formula: C18H23N2O3+ MolecularWeight: 315.38682

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(C(C2=CC=NC=C2)O)C(=O)OC

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)C[C@H]([C@H](C2=CC=NC=C2)O)C(=O)OC

InChI

InChI=1S/C18H22N2O3/c1-20(12-14-6-4-3-5-7-14)13-16(18(22)23-2)17(21)15-8-10-19-11-9-15/h3-11,16-17,21H,12-13H2,1-2H3/p+1/t16-,17+/m1/s1