(2-chloranyl-5-nitro-phenyl)methyl-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: (2-chloranyl-5-nitro-phenyl)methyl-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-methyl-azanium Openeye Name: (2-chloro-5-nitro-phenyl)methyl-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-methyl-ammonium CAS Name: (2-chloro-5-nitrophenyl)methyl-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-methylammonium IUPAC Name: (2-chloro-5-nitrophenyl)methyl-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-methylazanium Traditional Name: (2-chloro-5-nitro-benzyl)-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-methyl-ammonium Formula: C18H22ClN2O5+ MolecularWeight: 381.83068

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)CC(COC2=CC=C(C=C2)OC)O

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C[C@H](COC2=CC=C(C=C2)OC)O

InChI

InChI=1S/C18H21ClN2O5/c1-20(10-13-9-14(21(23)24)3-8-18(13)19)11-15(22)12-26-17-6-4-16(25-2)5-7-17/h3-9,15,22H,10-12H2,1-2H3/p+1/t15-/m1/s1