2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[(4-methyl-1-piperidin-1-iumyl)methyl]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole-3-thione Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)COC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1CC[NH+](CC1)CN2C(=S)N(C(=N2)COC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4OS/c1-18-12-14-24(15-13-18)17-25-22(28)26(19-8-4-2-5-9-19)21(23-25)16-27-20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3/p+1