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

Systemtic Name: 2-chloranyl-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-5-nitro-benzamide CAS Name: 2-chloro-N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-5-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)[N+](=O)[O-])Cl)CC3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

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