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

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-4-[(5-chloranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-4-[(5-chloro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-4-[(5-chloro-2-methoxyphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-4-(5-chloro-2-methoxy-benzyl)piperazin-4-ium-1-carboxamide Formula: C21H26Cl2N3O4+ MolecularWeight: 455.35484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C[NH+]2CCN(CC2)C(=O)NC3=CC(=C(C=C3OC)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C[NH+]2CCN(CC2)C(=O)NC3=CC(=C(C=C3OC)OC)Cl

InChI

InChI=1S/C21H25Cl2N3O4/c1-28-18-5-4-15(22)10-14(18)13-25-6-8-26(9-7-25)21(27)24-17-11-16(23)19(29-2)12-20(17)30-3/h4-5,10-12H,6-9,13H2,1-3H3,(H,24,27)/p+1