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

Systemtic Name: 1-(4-methoxyphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,3,4-tetrazole-5-thione Openeye Name: 1-(4-methoxyphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]tetrazole-5-thione CAS Name: 1-(4-methoxyphenyl)-4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-5-tetrazolethione IUPAC Name: 1-(4-methoxyphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]tetrazole-5-thione Traditional Name: 1-(4-methoxyphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]tetrazole-5-thione Formula: C18H23N7OS+2 MolecularWeight: 385.48652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=S)N(N=N2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=S)N(N=N2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C18H21N7OS/c1-26-16-7-5-15(6-8-16)25-18(27)24(20-21-25)14-22-10-12-23(13-11-22)17-4-2-3-9-19-17/h2-9H,10-14H2,1H3/p+2