1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-thiophen-3-yl-ethanone

Systemtic Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-thiophen-3-yl-ethanone Openeye Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(3-thienyl)ethanone CAS Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-(3-thiophenyl)ethanone IUPAC Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-thiophen-3-ylethanone Traditional Name: 1-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]-2-(3-thienyl)ethanone Formula: C19H25N2O3S+ MolecularWeight: 361.4784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)CC3=CSC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)CC3=CSC=C3

InChI

InChI=1S/C19H24N2O3S/c1-23-17-3-4-18(24-2)16(12-17)13-20-6-8-21(9-7-20)19(22)11-15-5-10-25-14-15/h3-5,10,12,14H,6-9,11,13H2,1-2H3/p+1