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

Systemtic Name: 1-(3,4-dimethylphenyl)-4-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-1,2,3,4-tetrazole-5-thione Openeye Name: 1-(3,4-dimethylphenyl)-4-[(4-hydroxypiperidin-1-ium-1-yl)methyl]tetrazole-5-thione CAS Name: 1-(3,4-dimethylphenyl)-4-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-5-tetrazolethione IUPAC Name: 1-(3,4-dimethylphenyl)-4-[(4-hydroxypiperidin-1-ium-1-yl)methyl]tetrazole-5-thione Traditional Name: 1-(3,4-dimethylphenyl)-4-[(4-hydroxypiperidin-1-ium-1-yl)methyl]tetrazole-5-thione Formula: C15H22N5OS+ MolecularWeight: 320.43308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=S)N(N=N2)C[NH+]3CCC(CC3)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=S)N(N=N2)C[NH+]3CCC(CC3)O)C

InChI

InChI=1S/C15H21N5OS/c1-11-3-4-13(9-12(11)2)20-15(22)19(16-17-20)10-18-7-5-14(21)6-8-18/h3-4,9,14,21H,5-8,10H2,1-2H3/p+1