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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C[NH+]3CCN(CC3)CCO

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC=CC=C2)C[NH+]3CCN(CC3)CCO

InChI

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