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

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-nitro-benzamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-nitro-benzamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-2-nitrobenzamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-nitrobenzamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-2-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/c20-15-7-5-14(6-8-15)13-22-11-9-16(10-12-22)21-19(24)17-3-1-2-4-18(17)23(25)26/h1-8,16H,9-13H2,(H,21,24)/p+1