[5-(2-methylpropyl)-3-methylsulfanyl-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-yl]methanol

Systemtic Name: [5-(2-methylpropyl)-3-methylsulfanyl-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-yl]methanol Openeye Name: (6-benzyloxy-5-isobutyl-3-methylsulfanyl-4-oxido-pyrazin-4-ium-2-yl)methanol CAS Name: [5-(2-methylpropyl)-3-(methylthio)-4-oxido-6-phenylmethoxy-2-pyrazin-4-iumyl]methanol IUPAC Name: [5-(2-methylpropyl)-3-methylsulfanyl-4-oxido-6-phenylmethoxypyrazin-4-ium-2-yl]methanol Traditional Name: [6-benzoxy-5-isobutyl-3-(methylthio)-4-oxido-pyrazin-4-ium-2-yl]methanol Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)CO)SC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)CO)SC)[O-]

InChI

InChI=1S/C17H22N2O3S/c1-12(2)9-15-16(22-11-13-7-5-4-6-8-13)18-14(10-20)17(23-3)19(15)21/h4-8,12,20H,9-11H2,1-3H3