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

Systemtic Name: 3-[[3-bromanyl-5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-yl]methyl]-1H-indole Openeye Name: 3-[(6-benzyloxy-3-bromo-5-isobutyl-4-oxido-pyrazin-4-ium-2-yl)methyl]-1H-indole CAS Name: 3-[[3-bromo-5-(2-methylpropyl)-4-oxido-6-phenylmethoxy-2-pyrazin-4-iumyl]methyl]-1H-indole IUPAC Name: 3-[[3-bromo-5-(2-methylpropyl)-4-oxido-6-phenylmethoxypyrazin-4-ium-2-yl]methyl]-1H-indole Traditional Name: 3-[(6-benzoxy-3-bromo-5-isobutyl-4-oxido-pyrazin-4-ium-2-yl)methyl]-1H-indole Formula: C24H24BrN3O2 MolecularWeight: 466.37026

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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)Br)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H24BrN3O2/c1-16(2)12-22-24(30-15-17-8-4-3-5-9-17)27-21(23(25)28(22)29)13-18-14-26-20-11-7-6-10-19(18)20/h3-11,14,16,26H,12-13,15H2,1-2H3