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

Systemtic Name: [(2R,3S)-2-methoxycarbonyl-3-oxidanyl-3-pyridin-4-yl-propyl]-(pyridin-2-ylmethyl)azanium Openeye Name: [(2R)-2-[(S)-hydroxy(4-pyridyl)methyl]-3-methoxy-3-oxo-propyl]-(2-pyridylmethyl)ammonium CAS Name: [(2R)-2-[(S)-hydroxy(pyridin-4-yl)methyl]-3-methoxy-3-oxopropyl]-(2-pyridinylmethyl)ammonium IUPAC Name: [(2R)-2-[(S)-hydroxy(pyridin-4-yl)methyl]-3-methoxy-3-oxopropyl]-(pyridin-2-ylmethyl)azanium Traditional Name: [(2R,3S)-2-carbomethoxy-3-hydroxy-3-(4-pyridyl)propyl]-(2-pyridylmethyl)ammonium Formula: C16H20N3O3+ MolecularWeight: 302.3483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C[NH2+]CC1=CC=CC=N1)C(C2=CC=NC=C2)O

Isomeric SMILES

COC(=O)[C@H](C[NH2+]CC1=CC=CC=N1)[C@@H](C2=CC=NC=C2)O

InChI

InChI=1S/C16H19N3O3/c1-22-16(21)14(15(20)12-5-8-17-9-6-12)11-18-10-13-4-2-3-7-19-13/h2-9,14-15,18,20H,10-11H2,1H3/p+1/t14-,15-/m1/s1