N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-nitro-benzamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-nitro-benzamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-nitro-benzamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3-nitrobenzamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-nitrobenzamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-3-nitro-benzamide Formula: C19H21ClN3O3+ MolecularWeight: 374.84134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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