2-ethoxy-6-[[4-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-ethoxy-6-[[4-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-ethoxy-6-[[4-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-ethoxy-6-[[4-[5-(2-methoxyethylthio)-4-methyl-1,2,4-triazol-3-yl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-ethoxy-6-[[4-[5-(2-methoxyethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-ethoxy-6-[[4-[5-(2-methoxyethylthio)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C20H31N4O3S+ MolecularWeight: 407.55014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C3=NN=C(N3C)SCCOC

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C3=NN=C(N3C)SCCOC

InChI

InChI=1S/C20H30N4O3S/c1-4-27-17-7-5-6-16(18(17)25)14-24-10-8-15(9-11-24)19-21-22-20(23(19)2)28-13-12-26-3/h5-7,15,25H,4,8-14H2,1-3H3/p+1