(4-methoxy-3-methoxycarbonyl-phenyl)methyl-[(2R)-3-(2-methylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: (4-methoxy-3-methoxycarbonyl-phenyl)methyl-[(2R)-3-(2-methylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-[(4-methoxy-3-methoxycarbonyl-phenyl)methyl]ammonium CAS Name: [(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-[(4-methoxy-3-methoxycarbonylphenyl)methyl]ammonium IUPAC Name: [(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]-[(4-methoxy-3-methoxycarbonylphenyl)methyl]azanium Traditional Name: (3-carbomethoxy-4-methoxy-benzyl)-[(2R)-2-hydroxy-3-(2-methylphenoxy)propyl]ammonium Formula: C20H26NO5+ MolecularWeight: 360.42414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(C[NH2+]CC2=CC(=C(C=C2)OC)C(=O)OC)O

Isomeric SMILES

CC1=CC=CC=C1OC[C@@H](C[NH2+]CC2=CC(=C(C=C2)OC)C(=O)OC)O

InChI

InChI=1S/C20H25NO5/c1-14-6-4-5-7-18(14)26-13-16(22)12-21-11-15-8-9-19(24-2)17(10-15)20(23)25-3/h4-10,16,21-22H,11-13H2,1-3H3/p+1/t16-/m1/s1