N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3,4-dimethoxy-benzamide Openeye Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3,4-dimethoxy-benzamide CAS Name: N-[4-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-3,4-dimethoxybenzamide IUPAC Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-3,4-dimethoxybenzamide Traditional Name: N-[4-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]phenyl]-3,4-dimethoxy-benzamide Formula: C26H29ClN3O3+ MolecularWeight: 466.97976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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