[(2S)-3-(2-methoxy-4-methoxycarbonyl-phenoxy)-2-oxidanyl-propyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(2S)-3-(2-methoxy-4-methoxycarbonyl-phenoxy)-2-oxidanyl-propyl]-(pyridin-3-ylmethyl)azanium Openeye Name: [(2S)-2-hydroxy-3-(2-methoxy-4-methoxycarbonyl-phenoxy)propyl]-(3-pyridylmethyl)ammonium CAS Name: [(2S)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(2S)-2-hydroxy-3-(2-methoxy-4-methoxycarbonylphenoxy)propyl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(2S)-3-(4-carbomethoxy-2-methoxy-phenoxy)-2-hydroxy-propyl]-(3-pyridylmethyl)ammonium Formula: C18H23N2O5+ MolecularWeight: 347.38562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCC(C[NH2+]CC2=CN=CC=C2)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OC[C@H](C[NH2+]CC2=CN=CC=C2)O

InChI

InChI=1S/C18H22N2O5/c1-23-17-8-14(18(22)24-2)5-6-16(17)25-12-15(21)11-20-10-13-4-3-7-19-9-13/h3-9,15,20-21H,10-12H2,1-2H3/p+1/t15-/m0/s1