3-(3-chlorophenyl)-3-[1-(3,4-dimethoxyphenyl)butan-2-yl]-1,3-oxazolidin-3-ium-2-one

Systemtic Name: 3-(3-chlorophenyl)-3-[1-(3,4-dimethoxyphenyl)butan-2-yl]-1,3-oxazolidin-3-ium-2-one Openeye Name: 3-(3-chlorophenyl)-3-[1-[(3,4-dimethoxyphenyl)methyl]propyl]oxazolidin-3-ium-2-one CAS Name: 3-(3-chlorophenyl)-3-[1-(3,4-dimethoxyphenyl)butan-2-yl]-2-oxazolidin-3-iumone IUPAC Name: 3-(3-chlorophenyl)-3-[1-(3,4-dimethoxyphenyl)butan-2-yl]-1,3-oxazolidin-3-ium-2-one Traditional Name: 3-(3-chlorophenyl)-3-(1-veratrylpropyl)oxazolidin-3-ium-2-one Formula: C21H25ClNO4+ MolecularWeight: 390.8805

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=C(C=C1)OC)OC)[N+]2(CCOC2=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCC(CC1=CC(=C(C=C1)OC)OC)[N+]2(CCOC2=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H25ClNO4/c1-4-17(12-15-8-9-19(25-2)20(13-15)26-3)23(10-11-27-21(23)24)18-7-5-6-16(22)14-18/h5-9,13-14,17H,4,10-12H2,1-3H3/q+1