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

Systemtic Name: 1-[5-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylthiophen-2-yl]ethanone Openeye Name: 1-[5-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-thienyl]ethanone CAS Name: 1-[5-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-thiophenyl]ethanone IUPAC Name: 1-[5-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]thiophen-2-yl]ethanone Traditional Name: 1-[5-(4-veratrylpiperazin-4-ium-1-carbonyl)-2-thienyl]ethanone Formula: C20H25N2O4S+ MolecularWeight: 389.4885

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(=O)C1=CC=C(S1)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H24N2O4S/c1-14(23)18-6-7-19(27-18)20(24)22-10-8-21(9-11-22)13-15-4-5-16(25-2)17(12-15)26-3/h4-7,12H,8-11,13H2,1-3H3/p+1