2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]ethanamide Openeye Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide CAS Name: 2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide IUPAC Name: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide Traditional Name: 2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-veratryl-acetamide Formula: C22H29ClN3O3+ MolecularWeight: 418.93696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H28ClN3O3/c1-16-4-6-18(23)13-19(16)26-10-8-25(9-11-26)15-22(27)24-14-17-5-7-20(28-2)21(12-17)29-3/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,24,27)/p+1