N-[5-ethyl-3-(4-methoxyphenyl)carbonyl-thiophen-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[5-ethyl-3-(4-methoxyphenyl)carbonyl-thiophen-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[5-ethyl-3-(4-methoxybenzoyl)-2-thienyl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[5-ethyl-3-[(4-methoxyphenyl)-oxomethyl]-2-thiophenyl]-2-(4-methyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[5-ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(5-ethyl-3-p-anisoyl-2-thienyl)-2-(4-methylpiperazin-1-ium-1-yl)acetamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCN(CC2)C)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCN(CC2)C)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N3O3S/c1-4-17-13-18(20(26)15-5-7-16(27-3)8-6-15)21(28-17)22-19(25)14-24-11-9-23(2)10-12-24/h5-8,13H,4,9-12,14H2,1-3H3,(H,22,25)/p+1