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

Systemtic Name: 4-[(5-chloranyl-2-methoxy-phenyl)methyl]-N-(3-methoxyphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-chloro-2-methoxy-phenyl)methyl]-N-(3-methoxyphenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-methoxyphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(3-methoxyphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(5-chloro-2-methoxy-benzyl)-N-(3-methoxyphenyl)piperazin-4-ium-1-carboxamide Formula: C20H25ClN3O3+ MolecularWeight: 390.8838

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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(=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C[NH+]2CCN(CC2)C(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H24ClN3O3/c1-26-18-5-3-4-17(13-18)22-20(25)24-10-8-23(9-11-24)14-15-12-16(21)6-7-19(15)27-2/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25)/p+1