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

Systemtic Name: 1-[3-[[3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-yl]methyl]indol-1-yl]ethanone Openeye Name: 1-[3-[(6-benzyloxy-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-yl)methyl]indol-1-yl]ethanone CAS Name: 1-[3-[[3-methoxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxy-2-pyrazin-4-iumyl]methyl]-1-indolyl]ethanone IUPAC Name: 1-[3-[[3-methoxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxypyrazin-4-ium-2-yl]methyl]indol-1-yl]ethanone Traditional Name: 1-[3-[(6-benzoxy-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-yl)methyl]indol-1-yl]ethanone Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)CC3=CN(C4=CC=CC=C43)C(=O)C)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)CC3=CN(C4=CC=CC=C43)C(=O)C)OC)[O-]

InChI

InChI=1S/C27H29N3O4/c1-18(2)14-25-26(34-17-20-10-6-5-7-11-20)28-23(27(33-4)30(25)32)15-21-16-29(19(3)31)24-13-9-8-12-22(21)24/h5-13,16,18H,14-15,17H2,1-4H3