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

Systemtic Name: 5-chloranyl-N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-nitro-benzamide Openeye Name: 5-chloro-N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-nitro-benzamide CAS Name: 5-chloro-N-[(2R)-2-(4-dimethylaminophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-nitrobenzamide Traditional Name: 5-chloro-N-[(2R)-2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-nitro-benzamide Formula: C21H26ClN4O3+ MolecularWeight: 417.90914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O3/c1-24(2)17-8-5-15(6-9-17)20(25-11-3-4-12-25)14-23-21(27)18-13-16(22)7-10-19(18)26(28)29/h5-10,13,20H,3-4,11-12,14H2,1-2H3,(H,23,27)/p+1/t20-/m0/s1