N-(4-acetamidophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[4-(3-thienylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[4-(3-thiophenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[4-(3-thenyl)piperazin-1-ium-1-yl]acetamide Formula: C19H25N4O2S+ MolecularWeight: 373.4924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CSC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C19H24N4O2S/c1-15(24)20-17-2-4-18(5-3-17)21-19(25)13-23-9-7-22(8-10-23)12-16-6-11-26-14-16/h2-6,11,14H,7-10,12-13H2,1H3,(H,20,24)(H,21,25)/p+1