4-(2-hydroxyethyl)-N-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-(2-hydroxyethyl)-N-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-(2-hydroxyethyl)-N-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-(2-hydroxyethyl)-N-(3,4,5-trimethoxyphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-(2-hydroxyethyl)-N-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-hydroxyethyl)-N-(3,4,5-trimethoxyphenyl)piperazin-4-ium-1-carbothioamide Formula: C16H26N3O4S+ MolecularWeight: 356.46034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=S)N2CC[NH+](CC2)CCO

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=S)N2CC[NH+](CC2)CCO

InChI

InChI=1S/C16H25N3O4S/c1-21-13-10-12(11-14(22-2)15(13)23-3)17-16(24)19-6-4-18(5-7-19)8-9-20/h10-11,20H,4-9H2,1-3H3,(H,17,24)/p+1