3-[[5-(2-methylpropyl)-3-methylsulfanyl-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-yl]methyl]-1H-indole

Systemtic Name: 3-[[5-(2-methylpropyl)-3-methylsulfanyl-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-yl]methyl]-1H-indole Openeye Name: 3-[(6-benzyloxy-5-isobutyl-3-methylsulfanyl-4-oxido-pyrazin-4-ium-2-yl)methyl]-1H-indole CAS Name: 3-[[5-(2-methylpropyl)-3-(methylthio)-4-oxido-6-phenylmethoxy-2-pyrazin-4-iumyl]methyl]-1H-indole IUPAC Name: 3-[[5-(2-methylpropyl)-3-methylsulfanyl-4-oxido-6-phenylmethoxypyrazin-4-ium-2-yl]methyl]-1H-indole Traditional Name: 3-[[6-benzoxy-5-isobutyl-3-(methylthio)-4-oxido-pyrazin-4-ium-2-yl]methyl]-1H-indole Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)CC3=CNC4=CC=CC=C43)SC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)CC3=CNC4=CC=CC=C43)SC)[O-]

InChI

InChI=1S/C25H27N3O2S/c1-17(2)13-23-24(30-16-18-9-5-4-6-10-18)27-22(25(31-3)28(23)29)14-19-15-26-21-12-8-7-11-20(19)21/h4-12,15,17,26H,13-14,16H2,1-3H3