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

Systemtic Name: 1-[3-[3-methoxy-2-methyl-5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-2H-pyrazin-4-ium-1-yl]indol-1-yl]ethanone Openeye Name: 1-[3-(6-benzyloxy-5-isobutyl-3-methoxy-2-methyl-4-oxido-2H-pyrazin-4-ium-1-yl)indol-1-yl]ethanone CAS Name: 1-[3-[3-methoxy-2-methyl-5-(2-methylpropyl)-4-oxido-6-phenylmethoxy-2H-pyrazin-4-ium-1-yl]-1-indolyl]ethanone IUPAC Name: 1-[3-[3-methoxy-2-methyl-5-(2-methylpropyl)-4-oxido-6-phenylmethoxy-2H-pyrazin-4-ium-1-yl]indol-1-yl]ethanone Traditional Name: 1-[3-(6-benzoxy-5-isobutyl-3-methoxy-2-methyl-4-oxido-2H-pyrazin-4-ium-1-yl)indol-1-yl]ethanone Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=[N+](C(=C(N1C2=CN(C3=CC=CC=C32)C(=O)C)OCC4=CC=CC=C4)CC(C)C)[O-])OC

Isomeric SMILES

CC1C(=[N+](C(=C(N1C2=CN(C3=CC=CC=C32)C(=O)C)OCC4=CC=CC=C4)CC(C)C)[O-])OC

InChI

InChI=1S/C27H31N3O4/c1-18(2)15-24-27(34-17-21-11-7-6-8-12-21)29(19(3)26(33-5)30(24)32)25-16-28(20(4)31)23-14-10-9-13-22(23)25/h6-14,16,18-19H,15,17H2,1-5H3