(3,4-diethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanethione

Systemtic Name: (3,4-diethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanethione Openeye Name: (3,4-diethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanethione CAS Name: (3,4-diethoxyphenyl)-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]methanethione IUPAC Name: (3,4-diethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanethione Traditional Name: (3,4-diethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanethione Formula: C17H27N2O3S+ MolecularWeight: 339.47288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=S)N2CC[NH+](CC2)CCO)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=S)N2CC[NH+](CC2)CCO)OCC

InChI

InChI=1S/C17H26N2O3S/c1-3-21-15-6-5-14(13-16(15)22-4-2)17(23)19-9-7-18(8-10-19)11-12-20/h5-6,13,20H,3-4,7-12H2,1-2H3/p+1