5-(4-methoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-methoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Openeye Name: 4-allyl-5-(4-methoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 5-(4-methoxyphenyl)-2-(1-piperidin-1-iumylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione IUPAC Name: 5-(4-methoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)-4-prop-2-enyl-1,2,4-triazole-3-thione Traditional Name: 4-allyl-5-(4-methoxyphenyl)-2-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazole-3-thione Formula: C18H25N4OS+ MolecularWeight: 345.4823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=S)N2CC=C)C[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=S)N2CC=C)C[NH+]3CCCCC3

InChI

InChI=1S/C18H24N4OS/c1-3-11-21-17(15-7-9-16(23-2)10-8-15)19-22(18(21)24)14-20-12-5-4-6-13-20/h3,7-10H,1,4-6,11-14H2,2H3/p+1