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

Systemtic Name: 4-[(5-chloranyl-2-methoxy-phenyl)methyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-chloro-2-methoxy-phenyl)methyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(4-fluorophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-chloro-2-methoxyphenyl)methyl]-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(5-chloro-2-methoxy-benzyl)-N-(4-fluorophenyl)piperazin-4-ium-1-carboxamide Formula: C19H22ClFN3O2+ MolecularWeight: 378.848283

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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=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClFN3O2/c1-26-18-7-2-15(20)12-14(18)13-23-8-10-24(11-9-23)19(25)22-17-5-3-16(21)4-6-17/h2-7,12H,8-11,13H2,1H3,(H,22,25)/p+1