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

Systemtic Name: 3-[[3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-yl]methyl]-2-(2-methylpropyl)-1H-indole Openeye Name: 3-[(6-benzyloxy-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-yl)methyl]-2-isobutyl-1H-indole CAS Name: 3-[[3-methoxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxy-2-pyrazin-4-iumyl]methyl]-2-(2-methylpropyl)-1H-indole IUPAC Name: 3-[[3-methoxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxypyrazin-4-ium-2-yl]methyl]-2-(2-methylpropyl)-1H-indole Traditional Name: 3-[(6-benzoxy-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-yl)methyl]-2-isobutyl-1H-indole Formula: C29H35N3O3 MolecularWeight: 473.6065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C2=CC=CC=C2N1)CC3=C([N+](=C(C(=N3)OCC4=CC=CC=C4)CC(C)C)[O-])OC

Isomeric SMILES

CC(C)CC1=C(C2=CC=CC=C2N1)CC3=C([N+](=C(C(=N3)OCC4=CC=CC=C4)CC(C)C)[O-])OC

InChI

InChI=1S/C29H35N3O3/c1-19(2)15-25-23(22-13-9-10-14-24(22)30-25)17-26-29(34-5)32(33)27(16-20(3)4)28(31-26)35-18-21-11-7-6-8-12-21/h6-14,19-20,30H,15-18H2,1-5H3