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

Systemtic Name: 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[(2R)-2-(3-methoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-3-nitro-benzamide Formula: C19H22N3O4+ MolecularWeight: 356.39568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CCC[NH+]2CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)[C@H]2CCC[NH+]2CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4/c1-26-16-5-2-4-13(10-16)17-6-3-9-21(17)12-15-8-7-14(19(20)23)11-18(15)22(24)25/h2,4-5,7-8,10-11,17H,3,6,9,12H2,1H3,(H2,20,23)/p+1/t17-/m1/s1