4-chloranyl-2-nitro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-chloranyl-2-nitro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-chloro-2-nitro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-chloro-2-nitro-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-chloro-2-nitro-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-chloro-2-nitro-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C19H21ClN3O3+ MolecularWeight: 374.84134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

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