4-[(5-chloranyl-2-methoxy-phenyl)methyl]-N-(4-methylphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(5-chloranyl-2-methoxy-phenyl)methyl]-N-(4-methylphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-chloro-2-methoxy-phenyl)methyl]-N-(p-tolyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(4-methylphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(4-methylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(5-chloro-2-methoxy-benzyl)-N-(p-tolyl)piperazin-4-ium-1-carboxamide Formula: C20H25ClN3O2+ MolecularWeight: 374.8844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C20H24ClN3O2/c1-15-3-6-18(7-4-15)22-20(25)24-11-9-23(10-12-24)14-16-13-17(21)5-8-19(16)26-2/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)/p+1