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

Systemtic Name: 1-methyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,2,3,4-tetrazole-5-thione Openeye Name: 1-methyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]tetrazole-5-thione CAS Name: 1-methyl-4-[(4-phenyl-1-piperazin-1-iumyl)methyl]-5-tetrazolethione IUPAC Name: 1-methyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]tetrazole-5-thione Traditional Name: 1-methyl-4-[(4-phenylpiperazin-1-ium-1-yl)methyl]tetrazole-5-thione Formula: C13H19N6S+ MolecularWeight: 291.39516

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)N(N=N1)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CN1C(=S)N(N=N1)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C13H18N6S/c1-16-13(20)19(15-14-16)11-17-7-9-18(10-8-17)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3/p+1