1-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-(4-methoxyphenyl)-1,2,3,4-tetrazole-5-thione

Systemtic Name: 1-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-(4-methoxyphenyl)-1,2,3,4-tetrazole-5-thione Openeye Name: 1-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-(4-methoxyphenyl)tetrazole-5-thione CAS Name: 1-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-4-(4-methoxyphenyl)-5-tetrazolethione IUPAC Name: 1-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-(4-methoxyphenyl)tetrazole-5-thione Traditional Name: 1-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-(4-methoxyphenyl)tetrazole-5-thione Formula: C16H24N5OS+ MolecularWeight: 334.45966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CN2C(=S)N(N=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CN2C(=S)N(N=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C16H23N5OS/c1-3-13-6-4-5-11-19(13)12-20-16(23)21(18-17-20)14-7-9-15(22-2)10-8-14/h7-10,13H,3-6,11-12H2,1-2H3/p+1/t13-/m0/s1