1-(4-methoxyphenyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione

Systemtic Name: 1-(4-methoxyphenyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Openeye Name: 1-(4-methoxyphenyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione CAS Name: 1-(4-methoxyphenyl)-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-imidazolethione IUPAC Name: 1-(4-methoxyphenyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Traditional Name: 1-(4-methoxyphenyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-4-imidazoline-2-thione Formula: C20H25N5OS+2 MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=CN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=C(C=C1)N2C=CN(C2=S)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H23N5OS/c1-26-18-7-5-17(6-8-18)25-15-14-24(20(25)27)16-22-10-12-23(13-11-22)19-4-2-3-9-21-19/h2-9,14-15H,10-13,16H2,1H3/p+2