8-methoxy-2-[[4-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]quinoline

Systemtic Name: 8-methoxy-2-[[4-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]quinoline Openeye Name: 8-methoxy-2-[[4-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]quinoline CAS Name: 8-methoxy-2-[[4-[5-(2-methoxyethylthio)-4-methyl-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]methyl]quinoline IUPAC Name: 8-methoxy-2-[[4-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]quinoline Traditional Name: 8-methoxy-2-[[4-[5-(2-methoxyethylthio)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]quinoline Formula: C22H30N5O2S+ MolecularWeight: 428.5709

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC)C2CC[NH+](CC2)CC3=NC4=C(C=CC=C4OC)C=C3

Isomeric SMILES

CN1C(=NN=C1SCCOC)C2CC[NH+](CC2)CC3=NC4=C(C=CC=C4OC)C=C3

InChI

InChI=1S/C22H29N5O2S/c1-26-21(24-25-22(26)30-14-13-28-2)17-9-11-27(12-10-17)15-18-8-7-16-5-4-6-19(29-3)20(16)23-18/h4-8,17H,9-15H2,1-3H3/p+1