1-cyclohexyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,3,4-tetrazole-5-thione

Systemtic Name: 1-cyclohexyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,3,4-tetrazole-5-thione Openeye Name: 1-cyclohexyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]tetrazole-5-thione CAS Name: 1-cyclohexyl-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-5-tetrazolethione IUPAC Name: 1-cyclohexyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]tetrazole-5-thione Traditional Name: 1-cyclohexyl-4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]tetrazole-5-thione Formula: C16H25N8S+ MolecularWeight: 361.4883

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=S)N(N=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCC(CC1)N2C(=S)N(N=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C16H24N8S/c25-16-23(19-20-24(16)14-5-2-1-3-6-14)13-21-9-11-22(12-10-21)15-17-7-4-8-18-15/h4,7-8,14H,1-3,5-6,9-13H2/p+1