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

Systemtic Name: 1-(4-butylphenyl)-4-[(4-oxidanylpiperidin-1-ium-1-yl)methyl]-1,2,3,4-tetrazole-5-thione Openeye Name: 1-(4-butylphenyl)-4-[(4-hydroxypiperidin-1-ium-1-yl)methyl]tetrazole-5-thione CAS Name: 1-(4-butylphenyl)-4-[(4-hydroxy-1-piperidin-1-iumyl)methyl]-5-tetrazolethione IUPAC Name: 1-(4-butylphenyl)-4-[(4-hydroxypiperidin-1-ium-1-yl)methyl]tetrazole-5-thione Traditional Name: 1-(4-butylphenyl)-4-[(4-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+]3CCC(CC3)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=S)N(N=N2)C[NH+]3CCC(CC3)O

InChI

InChI=1S/C17H25N5OS/c1-2-3-4-14-5-7-15(8-6-14)22-17(24)21(18-19-22)13-20-11-9-16(23)10-12-20/h5-8,16,23H,2-4,9-13H2,1H3/p+1