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

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-(dimethylamino)-5-nitro-benzamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-(dimethylamino)-5-nitro-benzamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-2-(dimethylamino)-5-nitrobenzamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-(dimethylamino)-5-nitrobenzamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-2-(dimethylamino)-5-nitro-benzamide Formula: C21H26ClN4O3+ MolecularWeight: 417.90914

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN4O3/c1-24(2)20-8-7-18(26(28)29)13-19(20)21(27)23-17-9-11-25(12-10-17)14-15-3-5-16(22)6-4-15/h3-8,13,17H,9-12,14H2,1-2H3,(H,23,27)/p+1