4-[(5-chloranyl-2-methoxy-phenyl)methyl]-N-(3-chloranyl-4-methyl-phenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(5-chloranyl-2-methoxy-phenyl)methyl]-N-(3-chloranyl-4-methyl-phenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-chloro-2-methoxy-phenyl)methyl]-N-(3-chloro-4-methyl-phenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-chloro-4-methylphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-chloro-4-methylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(5-chloro-2-methoxy-benzyl)-N-(3-chloro-4-methyl-phenyl)piperazin-4-ium-1-carboxamide Formula: C20H24Cl2N3O2+ MolecularWeight: 409.32946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23Cl2N3O2/c1-14-3-5-17(12-18(14)22)23-20(26)25-9-7-24(8-10-25)13-15-11-16(21)4-6-19(15)27-2/h3-6,11-12H,7-10,13H2,1-2H3,(H,23,26)/p+1