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

Systemtic Name: 1-phenyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-1,2,3,4-tetrazole-5-thione Openeye Name: 1-phenyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]tetrazole-5-thione CAS Name: 1-phenyl-4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-5-tetrazolethione IUPAC Name: 1-phenyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]tetrazole-5-thione Traditional Name: 1-phenyl-4-[(4-pyridin-1-ium-2-ylpiperazino)methyl]tetrazole-5-thione Formula: C17H20N7S+ MolecularWeight: 354.4526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)N(N=N2)C3=CC=CC=C3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1CN2C(=S)N(N=N2)C3=CC=CC=C3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C17H19N7S/c25-17-23(19-20-24(17)15-6-2-1-3-7-15)14-21-10-12-22(13-11-21)16-8-4-5-9-18-16/h1-9H,10-14H2/p+1