(3-chlorophenyl)-[4-(4-methoxyphenyl)piperazin-4-ium-1-yl]methanone chloride

Systemtic Name: (3-chlorophenyl)-[4-(4-methoxyphenyl)piperazin-4-ium-1-yl]methanone chloride Openeye Name: (3-chlorophenyl)-[4-(4-methoxyphenyl)piperazin-4-ium-1-yl]methanone chloride CAS Name: (3-chlorophenyl)-[4-(4-methoxyphenyl)-1-piperazin-4-iumyl]methanone chloride IUPAC Name: (3-chlorophenyl)-[4-(4-methoxyphenyl)piperazin-4-ium-1-yl]methanone chloride Traditional Name: (3-chlorophenyl)-[4-(4-methoxyphenyl)piperazin-4-ium-1-yl]methanone chloride Formula: C18H20Cl2N2O2 MolecularWeight: 367.2696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O2.ClH/c1-23-17-7-5-16(6-8-17)20-9-11-21(12-10-20)18(22)14-3-2-4-15(19)13-14;/h2-8,13H,9-12H2,1H3;1H