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

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-4-ethoxy-3-nitro-benzamide Formula: C21H25ClN3O4+ MolecularWeight: 418.8939

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN3O4/c1-2-29-20-8-5-16(13-19(20)25(27)28)21(26)23-18-9-11-24(12-10-18)14-15-3-6-17(22)7-4-15/h3-8,13,18H,2,9-12,14H2,1H3,(H,23,26)/p+1