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

Systemtic Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-nitro-benzamide Openeye Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-nitro-benzamide CAS Name: N-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-nitrobenzamide IUPAC Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-nitrobenzamide Traditional Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-nitro-benzamide Formula: C20H24N3O4+ MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4/c1-27-18-9-5-6-15(13-18)19(22-10-2-3-11-22)14-21-20(24)16-7-4-8-17(12-16)23(25)26/h4-9,12-13,19H,2-3,10-11,14H2,1H3,(H,21,24)/p+1/t19-/m0/s1