N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-2,6-dimethoxy-benzamide

Systemtic Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-2,6-dimethoxy-benzamide Openeye Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-2,6-dimethoxy-benzamide CAS Name: N-[4-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-2,6-dimethoxybenzamide IUPAC Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-2,6-dimethoxybenzamide Traditional Name: N-[4-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]phenyl]-2,6-dimethoxy-benzamide Formula: C26H29ClN3O3+ MolecularWeight: 466.97976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4Cl

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C26H28ClN3O3/c1-32-23-8-5-9-24(33-2)25(23)26(31)28-20-10-12-21(13-11-20)30-16-14-29(15-17-30)18-19-6-3-4-7-22(19)27/h3-13H,14-18H2,1-2H3,(H,28,31)/p+1