methyl-[(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]-[(4-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: methyl-[(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]-[(4-piperidin-1-ylphenyl)methyl]azanium Openeye Name: methyl-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]-[[4-(1-piperidyl)phenyl]methyl]ammonium CAS Name: methyl-[(4-phenyl-5-sulfanylidene-1-tetrazolyl)methyl]-[[4-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: methyl-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]-[(4-piperidin-1-ylphenyl)methyl]azanium Traditional Name: methyl-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]-(4-piperidinobenzyl)ammonium Formula: C21H27N6S+ MolecularWeight: 395.54428

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)N2CCCCC2)CN3C(=S)N(N=N3)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)N2CCCCC2)CN3C(=S)N(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H26N6S/c1-24(16-18-10-12-19(13-11-18)25-14-6-3-7-15-25)17-26-21(28)27(23-22-26)20-8-4-2-5-9-20/h2,4-5,8-13H,3,6-7,14-17H2,1H3/p+1