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

Systemtic Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-nitro-benzamide Openeye Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-nitro-benzamide CAS Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-nitrobenzamide IUPAC Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-nitrobenzamide Traditional Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-nitro-benzamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-23(2)18-10-8-16(9-11-18)20(24-12-3-4-13-24)15-22-21(26)17-6-5-7-19(14-17)25(27)28/h5-11,14,20H,3-4,12-13,15H2,1-2H3,(H,22,26)/p+1/t20-/m0/s1