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

Systemtic Name: 1-(4-butylphenyl)-4-[[(3R)-3-oxidanylpiperidin-1-ium-1-yl]methyl]-1,2,3,4-tetrazole-5-thione Openeye Name: 1-(4-butylphenyl)-4-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]tetrazole-5-thione CAS Name: 1-(4-butylphenyl)-4-[[(3R)-3-hydroxy-1-piperidin-1-iumyl]methyl]-5-tetrazolethione IUPAC Name: 1-(4-butylphenyl)-4-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]tetrazole-5-thione Traditional Name: 1-(4-butylphenyl)-4-[[(3R)-3-hydroxypiperidin-1-ium-1-yl]methyl]tetrazole-5-thione Formula: C17H26N5OS+ MolecularWeight: 348.48624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=S)N(N=N2)C[NH+]3CCCC(C3)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=S)N(N=N2)C[NH+]3CCC[C@H](C3)O

InChI

InChI=1S/C17H25N5OS/c1-2-3-5-14-7-9-15(10-8-14)22-17(24)21(18-19-22)13-20-11-4-6-16(23)12-20/h7-10,16,23H,2-6,11-13H2,1H3/p+1/t16-/m1/s1