[1-[[4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]-phenyl-methanone

Systemtic Name: [1-[[4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]-phenyl-methanone Openeye Name: [1-[[4-(2-methoxyethyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]-phenyl-methanone CAS Name: [1-[[4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidin-1-iumyl]-phenylmethanone IUPAC Name: [1-[[4-(2-methoxyethyl)-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]-phenylmethanone Traditional Name: [1-[[4-(2-methoxyethyl)-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]-phenyl-methanone Formula: C23H28N5O2S+ MolecularWeight: 438.56572

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN(C1=S)C[NH+]2CCC(CC2)C(=O)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

COCCN1C(=NN(C1=S)C[NH+]2CCC(CC2)C(=O)C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C23H27N5O2S/c1-30-16-15-27-22(20-7-11-24-12-8-20)25-28(23(27)31)17-26-13-9-19(10-14-26)21(29)18-5-3-2-4-6-18/h2-8,11-12,19H,9-10,13-17H2,1H3/p+1