4-chloranyl-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-benzamide Formula: C20H23ClN3O5+ MolecularWeight: 420.86672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[NH+]3CCOCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[NH+]3CCOCC3

InChI

InChI=1S/C20H22ClN3O5/c1-28-16-5-2-14(3-6-16)19(23-8-10-29-11-9-23)13-22-20(25)15-4-7-17(21)18(12-15)24(26)27/h2-7,12,19H,8-11,13H2,1H3,(H,22,25)/p+1/t19-/m0/s1