(4-methoxyphenyl)methyl-[(2S)-3-(4-methyl-2-nitro-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: (4-methoxyphenyl)methyl-[(2S)-3-(4-methyl-2-nitro-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(4-methyl-2-nitro-phenoxy)propyl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: [(2S)-2-hydroxy-3-(4-methyl-2-nitrophenoxy)propyl]-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-(4-methyl-2-nitrophenoxy)propyl]-[(4-methoxyphenyl)methyl]azanium Traditional Name: [(2S)-2-hydroxy-3-(4-methyl-2-nitro-phenoxy)propyl]-p-anisyl-ammonium Formula: C18H23N2O5+ MolecularWeight: 347.38562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(C[NH2+]CC2=CC=C(C=C2)OC)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC[C@H](C[NH2+]CC2=CC=C(C=C2)OC)O)[N+](=O)[O-]

InChI

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