[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(2,4,5-trimethoxyphenyl)methanethione

Systemtic Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(2,4,5-trimethoxyphenyl)methanethione Openeye Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(2,4,5-trimethoxyphenyl)methanethione CAS Name: [4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-(2,4,5-trimethoxyphenyl)methanethione IUPAC Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(2,4,5-trimethoxyphenyl)methanethione Traditional Name: asaryl-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanethione Formula: C16H25N2O4S+ MolecularWeight: 341.4457

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=S)N2CC[NH+](CC2)CCO)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=S)N2CC[NH+](CC2)CCO)OC)OC

InChI

InChI=1S/C16H24N2O4S/c1-20-13-11-15(22-3)14(21-2)10-12(13)16(23)18-6-4-17(5-7-18)8-9-19/h10-11,19H,4-9H2,1-3H3/p+1