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

Systemtic Name: 1H-indol-3-yl-[3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-yl]methanone Openeye Name: (6-benzyloxy-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-yl)-(1H-indol-3-yl)methanone CAS Name: 1H-indol-3-yl-[3-methoxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxy-2-pyrazin-4-iumyl]methanone IUPAC Name: 1H-indol-3-yl-[3-methoxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxypyrazin-4-ium-2-yl]methanone Traditional Name: (6-benzoxy-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-yl)-(1H-indol-3-yl)methanone Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)C(=O)C3=CNC4=CC=CC=C43)OC)[O-]

InChI

InChI=1S/C25H25N3O4/c1-16(2)13-21-24(32-15-17-9-5-4-6-10-17)27-22(25(31-3)28(21)30)23(29)19-14-26-20-12-8-7-11-18(19)20/h4-12,14,16,26H,13,15H2,1-3H3