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

Systemtic Name: 1-[5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylthiophen-2-yl]ethanone Openeye Name: 1-[5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-thienyl]ethanone CAS Name: 1-[5-[oxo-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]thiophen-2-yl]ethanone Traditional Name: 1-[5-[4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-1-carbonyl]-2-thienyl]ethanone Formula: C21H27N2O5S+ MolecularWeight: 419.51448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-14(24)17-7-8-18(29-17)21(25)23-11-9-22(10-12-23)13-15-5-6-16(26-2)20(28-4)19(15)27-3/h5-8H,9-13H2,1-4H3/p+1