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

Systemtic Name: 1-(3-chlorophenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,3,4-tetrazole-5-thione Openeye Name: 1-(3-chlorophenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]tetrazole-5-thione CAS Name: 1-(3-chlorophenyl)-4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-5-tetrazolethione IUPAC Name: 1-(3-chlorophenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]tetrazole-5-thione Traditional Name: 1-(3-chlorophenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]tetrazole-5-thione Formula: C17H20ClN7S+2 MolecularWeight: 389.9056

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)N(N=N2)C3=CC(=CC=C3)Cl)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)N(N=N2)C3=CC(=CC=C3)Cl)C4=CC=CC=[NH+]4

InChI

InChI=1S/C17H18ClN7S/c18-14-4-3-5-15(12-14)25-17(26)24(20-21-25)13-22-8-10-23(11-9-22)16-6-1-2-7-19-16/h1-7,12H,8-11,13H2/p+2