1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-imidazole-2-thione

Systemtic Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-imidazole-2-thione Openeye Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methyl-imidazole-2-thione CAS Name: 1-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-3-methyl-2-imidazolethione IUPAC Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-methylimidazole-2-thione Traditional Name: 1-methyl-3-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-4-imidazoline-2-thione Formula: C17H25N4OS+ MolecularWeight: 333.4716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C=CN(C3=S)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C=CN(C3=S)C

InChI

InChI=1S/C17H24N4OS/c1-3-22-16-7-5-4-6-15(16)20-12-9-19(10-13-20)14-21-11-8-18(2)17(21)23/h4-8,11H,3,9-10,12-14H2,1-2H3/p+1