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

Systemtic Name: 4-chloranyl-3-nitro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-chloro-3-nitro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-chloro-3-nitro-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-chloro-3-nitro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-chloro-3-nitro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C19H21ClN3O3+ MolecularWeight: 374.84134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H20ClN3O3/c20-16-9-8-15(12-17(16)23(25)26)19(24)21-13-18(22-10-4-5-11-22)14-6-2-1-3-7-14/h1-3,6-9,12,18H,4-5,10-11,13H2,(H,21,24)/p+1/t18-/m0/s1