(3-chlorophenyl)-[4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-chlorophenyl)-[4-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3-chlorophenyl)-[4-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-chlorophenyl)-[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-chlorophenyl)-[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3-chlorophenyl)-[4-(4-hydroxy-3,5-dimethoxy-benzyl)piperazin-4-ium-1-yl]methanone Formula: C20H24ClN2O4+ MolecularWeight: 391.86856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H23ClN2O4/c1-26-17-10-14(11-18(27-2)19(17)24)13-22-6-8-23(9-7-22)20(25)15-4-3-5-16(21)12-15/h3-5,10-12,24H,6-9,13H2,1-2H3/p+1