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

Systemtic Name: 3-[[3-cyclohexyloxy-5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-yl]methyl]-1H-indole Openeye Name: 3-[[6-benzyloxy-3-(cyclohexoxy)-5-isobutyl-4-oxido-pyrazin-4-ium-2-yl]methyl]-1H-indole CAS Name: 3-[[3-cyclohexyloxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxy-2-pyrazin-4-iumyl]methyl]-1H-indole IUPAC Name: 3-[[3-cyclohexyloxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxypyrazin-4-ium-2-yl]methyl]-1H-indole Traditional Name: 3-[[6-benzoxy-3-(cyclohexoxy)-5-isobutyl-4-oxido-pyrazin-4-ium-2-yl]methyl]-1H-indole Formula: C30H35N3O3 MolecularWeight: 485.6172

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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)OC5CCCCC5)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)CC3=CNC4=CC=CC=C43)OC5CCCCC5)[O-]

InChI

InChI=1S/C30H35N3O3/c1-21(2)17-28-29(35-20-22-11-5-3-6-12-22)32-27(18-23-19-31-26-16-10-9-15-25(23)26)30(33(28)34)36-24-13-7-4-8-14-24/h3,5-6,9-12,15-16,19,21,24,31H,4,7-8,13-14,17-18,20H2,1-2H3