5-chloranyl-2-nitro-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 5-chloranyl-2-nitro-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 5-chloro-2-nitro-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 5-chloro-2-nitro-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 5-chloro-2-nitro-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 5-chloro-2-nitro-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C20H23ClN3O3+ MolecularWeight: 388.86792

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O3/c21-17-8-9-19(24(26)27)18(12-17)20(25)22-13-15-6-2-3-7-16(15)14-23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11,13-14H2,(H,22,25)/p+1