4-chloranyl-3-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-chloranyl-3-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-chloro-3-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-chloro-3-nitro-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-chloro-3-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-chloro-3-nitro-N-[4-(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=C(C=C2)CNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O3/c21-18-9-8-17(12-19(18)24(26)27)20(25)22-13-15-4-6-16(7-5-15)14-23-10-2-1-3-11-23/h4-9,12H,1-3,10-11,13-14H2,(H,22,25)/p+1