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

Systemtic Name: 1-(3,4-dimethylphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,3,4-tetrazole-5-thione Openeye Name: 1-(3,4-dimethylphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]tetrazole-5-thione CAS Name: 1-(3,4-dimethylphenyl)-4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-5-tetrazolethione IUPAC Name: 1-(3,4-dimethylphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]tetrazole-5-thione Traditional Name: 1-(3,4-dimethylphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]tetrazole-5-thione Formula: C19H25N7S+2 MolecularWeight: 383.5137

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=S)N(N=N2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=S)N(N=N2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C19H23N7S/c1-15-6-7-17(13-16(15)2)26-19(27)25(21-22-26)14-23-9-11-24(12-10-23)18-5-3-4-8-20-18/h3-8,13H,9-12,14H2,1-2H3/p+2