N-[3-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-thiophen-2-yl]benzamide

Systemtic Name: N-[3-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-thiophen-2-yl]benzamide Openeye Name: N-[3-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-2-thienyl]benzamide CAS Name: N-[3-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-4,5-dimethyl-2-thiophenyl]benzamide IUPAC Name: N-[3-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethylthiophen-2-yl]benzamide Traditional Name: N-[3-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4,5-dimethyl-2-thienyl]benzamide Formula: C20H28N3O2S+ MolecularWeight: 374.52022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C[NH+]2CCN(CC2)CCO)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C[NH+]2CCN(CC2)CCO)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H27N3O2S/c1-15-16(2)26-20(21-19(25)17-6-4-3-5-7-17)18(15)14-23-10-8-22(9-11-23)12-13-24/h3-7,24H,8-14H2,1-2H3,(H,21,25)/p+1