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

Systemtic Name: (3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanethione Openeye Name: (3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanethione CAS Name: (3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]methanethione IUPAC Name: (3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanethione Traditional Name: (3,4-dimethoxyphenyl)-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]methanethione Formula: C15H23N2O3S+ MolecularWeight: 311.41972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=S)N2CC[NH+](CC2)CCO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=S)N2CC[NH+](CC2)CCO)OC

InChI

InChI=1S/C15H22N2O3S/c1-19-13-4-3-12(11-14(13)20-2)15(21)17-7-5-16(6-8-17)9-10-18/h3-4,11,18H,5-10H2,1-2H3/p+1