azepan-1-yl-[1-[(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: azepan-1-yl-[1-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: 1-azepanyl-[1-[(4-phenyl-5-sulfanylidene-1-tetrazolyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: azepan-1-yl-[1-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]piperidin-1-ium-4-yl]methanone Formula: C20H29N6OS+ MolecularWeight: 401.54886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CN3C(=S)N(N=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CN3C(=S)N(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H28N6OS/c27-19(24-12-6-1-2-7-13-24)17-10-14-23(15-11-17)16-25-20(28)26(22-21-25)18-8-4-3-5-9-18/h3-5,8-9,17H,1-2,6-7,10-16H2/p+1