1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenyl)sulfanyl-ethanone Openeye Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenyl)sulfanyl-ethanone CAS Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-[(4-methoxyphenyl)thio]ethanone IUPAC Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methoxyphenyl)sulfanylethanone Traditional Name: 2-[(4-methoxyphenyl)thio]-1-(4-veratrylpiperazin-4-ium-1-yl)ethanone Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H28N2O4S/c1-26-18-5-7-19(8-6-18)29-16-22(25)24-12-10-23(11-13-24)15-17-4-9-20(27-2)21(14-17)28-3/h4-9,14H,10-13,15-16H2,1-3H3/p+1