5-chloranyl-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-nitro-benzamide

Systemtic Name: 5-chloranyl-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-nitro-benzamide Openeye Name: 5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-nitro-benzamide CAS Name: 5-chloro-N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-nitrobenzamide Traditional Name: 5-chloro-N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-2-nitro-benzamide Formula: C19H20Cl2N3O3+ MolecularWeight: 409.2864

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-])CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H19Cl2N3O3/c20-14-3-1-13(2-4-14)12-23-9-7-16(8-10-23)22-19(25)17-11-15(21)5-6-18(17)24(26)27/h1-6,11,16H,7-10,12H2,(H,22,25)/p+1