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

Systemtic Name: 1-(4-propan-2-ylphenyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Openeye Name: 1-(4-isopropylphenyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione CAS Name: 1-(4-propan-2-ylphenyl)-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-2-imidazolethione IUPAC Name: 1-(4-propan-2-ylphenyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]imidazole-2-thione Traditional Name: 1-p-cumenyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-4-imidazoline-2-thione Formula: C22H29N5S+2 MolecularWeight: 395.56416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5S/c1-18(2)19-6-8-20(9-7-19)27-16-15-26(22(27)28)17-24-11-13-25(14-12-24)21-5-3-4-10-23-21/h3-10,15-16,18H,11-14,17H2,1-2H3/p+2