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

Systemtic Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-(3-methoxyphenyl)imidazole-2-thione Openeye Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-(3-methoxyphenyl)imidazole-2-thione CAS Name: 1-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-3-(3-methoxyphenyl)-2-imidazolethione IUPAC Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-(3-methoxyphenyl)imidazole-2-thione Traditional Name: 1-(3-methoxyphenyl)-3-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-4-imidazoline-2-thione Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C=CN(C3=S)C4=CC(=CC=C4)OC

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C=CN(C3=S)C4=CC(=CC=C4)OC

InChI

InChI=1S/C23H28N4O2S/c1-3-29-22-10-5-4-9-21(22)25-13-11-24(12-14-25)18-26-15-16-27(23(26)30)19-7-6-8-20(17-19)28-2/h4-10,15-17H,3,11-14,18H2,1-2H3/p+1