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

Systemtic Name: 5-methoxy-6-[(1-methylindol-3-yl)methyl]-3-(2-methylpropyl)-4-oxidanidyl-1H-pyrazin-4-ium-2-one Openeye Name: 3-isobutyl-5-methoxy-6-[(1-methylindol-3-yl)methyl]-4-oxido-1H-pyrazin-4-ium-2-one CAS Name: 5-methoxy-6-[(1-methyl-3-indolyl)methyl]-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one IUPAC Name: 5-methoxy-6-[(1-methylindol-3-yl)methyl]-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one Traditional Name: 3-isobutyl-5-methoxy-6-[(1-methylindol-3-yl)methyl]-4-oxido-1H-pyrazin-4-ium-2-one Formula: C19H23N3O3 MolecularWeight: 341.40422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3/c1-12(2)9-17-18(23)20-15(19(25-4)22(17)24)10-13-11-21(3)16-8-6-5-7-14(13)16/h5-8,11-12H,9-10H2,1-4H3,(H,20,23)