N-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbothioyl-4-methoxy-benzamide

Systemtic Name: N-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]carbothioyl-4-methoxy-benzamide Openeye Name: N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]-4-methoxy-benzamide CAS Name: N-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]-4-methoxybenzamide Traditional Name: N-[4-(2-hydroxyethyl)piperazin-4-ium-1-carbothioyl]-4-methoxy-benzamide Formula: C15H22N3O3S+ MolecularWeight: 324.41848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=S)N2CC[NH+](CC2)CCO

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=S)N2CC[NH+](CC2)CCO

InChI

InChI=1S/C15H21N3O3S/c1-21-13-4-2-12(3-5-13)14(20)16-15(22)18-8-6-17(7-9-18)10-11-19/h2-5,19H,6-11H2,1H3,(H,16,20,22)/p+1