[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-[(2S)-2-oxidanyl-2-phenyl-ethyl]azanium

Systemtic Name: [4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]methyl-[(2S)-2-oxidanyl-2-phenyl-ethyl]azanium Openeye Name: [4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]methyl-[(2S)-2-hydroxy-2-phenyl-ethyl]ammonium CAS Name: [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-[(2S)-2-hydroxy-2-phenylethyl]ammonium IUPAC Name: [4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium Traditional Name: [4-(2-amino-2-keto-ethoxy)-3-methoxy-benzyl]-[(2S)-2-hydroxy-2-phenyl-ethyl]ammonium Formula: C18H23N2O4+ MolecularWeight: 331.38622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]CC(C2=CC=CC=C2)O)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C[C@H](C2=CC=CC=C2)O)OCC(=O)N

InChI

InChI=1S/C18H22N2O4/c1-23-17-9-13(7-8-16(17)24-12-18(19)22)10-20-11-15(21)14-5-3-2-4-6-14/h2-9,15,20-21H,10-12H2,1H3,(H2,19,22)/p+1/t15-/m1/s1