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

Systemtic Name: 3-nitro-4-[[(2R)-2-phenylpyrrolidin-1-ium-1-yl]methyl]benzamide Openeye Name: 3-nitro-4-[[(2R)-2-phenylpyrrolidin-1-ium-1-yl]methyl]benzamide CAS Name: 3-nitro-4-[[(2R)-2-phenyl-1-pyrrolidin-1-iumyl]methyl]benzamide IUPAC Name: 3-nitro-4-[[(2R)-2-phenylpyrrolidin-1-ium-1-yl]methyl]benzamide Traditional Name: 3-nitro-4-[[(2R)-2-phenylpyrrolidin-1-ium-1-yl]methyl]benzamide Formula: C18H20N3O3+ MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H19N3O3/c19-18(22)14-8-9-15(17(11-14)21(23)24)12-20-10-4-7-16(20)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,16H,4,7,10,12H2,(H2,19,22)/p+1/t16-/m1/s1