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

Systemtic Name: 5-methoxy-3-(2-methylpropyl)-4-oxidanidyl-6-[[1-(phenylmethyl)indol-3-yl]methyl]-1H-pyrazin-4-ium-2-one Openeye Name: 6-[(1-benzylindol-3-yl)methyl]-3-isobutyl-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one CAS Name: 5-methoxy-3-(2-methylpropyl)-4-oxido-6-[[1-(phenylmethyl)-3-indolyl]methyl]-1H-pyrazin-4-ium-2-one IUPAC Name: 6-[(1-benzylindol-3-yl)methyl]-5-methoxy-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one Traditional Name: 6-[(1-benzylindol-3-yl)methyl]-3-isobutyl-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(NC1=O)CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(NC1=O)CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)OC)[O-]

InChI

InChI=1S/C25H27N3O3/c1-17(2)13-23-24(29)26-21(25(31-3)28(23)30)14-19-16-27(15-18-9-5-4-6-10-18)22-12-8-7-11-20(19)22/h4-12,16-17H,13-15H2,1-3H3,(H,26,29)