(3,4-dimethoxyphenyl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone chloride

Systemtic Name: (3,4-dimethoxyphenyl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone chloride Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3,4-dimethoxyphenyl)methanone chloride CAS Name: (3,4-dimethoxyphenyl)-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone chloride IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3,4-dimethoxyphenyl)methanone chloride Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3,4-dimethoxyphenyl)methanone chloride Formula: C26H29ClN2O3 MolecularWeight: 452.97306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC.[Cl-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC.[Cl-]

InChI

InChI=1S/C26H28N2O3.ClH/c1-30-23-14-13-22(19-24(23)31-2)26(29)28-17-15-27(16-18-28)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21;/h3-14,19,25H,15-18H2,1-2H3;1H