1-[[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]-3-methyl-imidazole-2-thione

Systemtic Name: 1-[[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]-3-methyl-imidazole-2-thione Openeye Name: 1-[[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]-3-methyl-imidazole-2-thione CAS Name: 1-[[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazine-1,4-diiumyl]methyl]-3-methyl-2-imidazolethione IUPAC Name: 1-[[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]-3-methylimidazole-2-thione Traditional Name: 1-[[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]-3-methyl-4-imidazoline-2-thione Formula: C18H28N4O2S+2 MolecularWeight: 364.50552

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN(C1=S)C[NH+]2CC[NH+](CC2)CCOC3=CC=C(C=C3)OC

Isomeric SMILES

CN1C=CN(C1=S)C[NH+]2CC[NH+](CC2)CCOC3=CC=C(C=C3)OC

InChI

InChI=1S/C18H26N4O2S/c1-19-7-12-22(18(19)25)15-21-10-8-20(9-11-21)13-14-24-17-5-3-16(23-2)4-6-17/h3-7,12H,8-11,13-15H2,1-2H3/p+2