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

Systemtic Name: 5-methoxy-1-methyl-3-(2-methylpropyl)-4-oxidanidyl-6-[1-(phenylmethyl)indol-3-yl]pyrazin-4-ium-2-one Openeye Name: 6-(1-benzylindol-3-yl)-3-isobutyl-5-methoxy-1-methyl-4-oxido-pyrazin-4-ium-2-one CAS Name: 5-methoxy-1-methyl-3-(2-methylpropyl)-4-oxido-6-[1-(phenylmethyl)-3-indolyl]-2-pyrazin-4-iumone IUPAC Name: 6-(1-benzylindol-3-yl)-5-methoxy-1-methyl-3-(2-methylpropyl)-4-oxidopyrazin-4-ium-2-one Traditional Name: 6-(1-benzylindol-3-yl)-3-isobutyl-5-methoxy-1-methyl-4-oxido-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(N(C1=O)C)C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N(C1=O)C)C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)OC)[O-]

InChI

InChI=1S/C25H27N3O3/c1-17(2)14-22-24(29)26(3)23(25(31-4)28(22)30)20-16-27(15-18-10-6-5-7-11-18)21-13-9-8-12-19(20)21/h5-13,16-17H,14-15H2,1-4H3