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

Systemtic Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(1-propylimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(1-propylimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-[(1-propyl-2-imidazolyl)thio]ethanone IUPAC Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(1-propylimidazol-2-yl)sulfanylethanone Traditional Name: 2-[(1-propylimidazol-2-yl)thio]-1-(4-veratrylpiperazin-4-ium-1-yl)ethanone Formula: C21H31N4O3S+ MolecularWeight: 419.56084

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CN=C1SCC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCN1C=CN=C1SCC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H30N4O3S/c1-4-8-25-9-7-22-21(25)29-16-20(26)24-12-10-23(11-13-24)15-17-5-6-18(27-2)19(14-17)28-3/h5-7,9,14H,4,8,10-13,15-16H2,1-3H3/p+1