4-chloranyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-nitro-benzamide Formula: C20H23ClN3O4+ MolecularWeight: 404.86732

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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+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])[NH+]3CCCC3

InChI

InChI=1S/C20H22ClN3O4/c1-28-16-7-4-14(5-8-16)19(23-10-2-3-11-23)13-22-20(25)15-6-9-17(21)18(12-15)24(26)27/h4-9,12,19H,2-3,10-11,13H2,1H3,(H,22,25)/p+1/t19-/m0/s1