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

Systemtic Name: 3-[[5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-3-propan-2-yloxy-pyrazin-4-ium-2-yl]methyl]-1H-indole Openeye Name: 3-[(6-benzyloxy-5-isobutyl-3-isopropoxy-4-oxido-pyrazin-4-ium-2-yl)methyl]-1H-indole CAS Name: 3-[[5-(2-methylpropyl)-4-oxido-6-phenylmethoxy-3-propan-2-yloxy-2-pyrazin-4-iumyl]methyl]-1H-indole IUPAC Name: 3-[[5-(2-methylpropyl)-4-oxido-6-phenylmethoxy-3-propan-2-yloxypyrazin-4-ium-2-yl]methyl]-1H-indole Traditional Name: 3-[(6-benzoxy-5-isobutyl-3-isopropoxy-4-oxido-pyrazin-4-ium-2-yl)methyl]-1H-indole Formula: C27H31N3O3 MolecularWeight: 445.55334

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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)OC(C)C)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O3/c1-18(2)14-25-26(32-17-20-10-6-5-7-11-20)29-24(27(30(25)31)33-19(3)4)15-21-16-28-23-13-9-8-12-22(21)23/h5-13,16,18-19,28H,14-15,17H2,1-4H3