6-(1H-indol-3-ylmethyl)-5-methoxy-1-methyl-3-(2-methylpropyl)-4-oxidanidyl-pyrazin-4-ium-2-one

Systemtic Name: 6-(1H-indol-3-ylmethyl)-5-methoxy-1-methyl-3-(2-methylpropyl)-4-oxidanidyl-pyrazin-4-ium-2-one Openeye Name: 6-(1H-indol-3-ylmethyl)-3-isobutyl-5-methoxy-1-methyl-4-oxido-pyrazin-4-ium-2-one CAS Name: 6-(1H-indol-3-ylmethyl)-5-methoxy-1-methyl-3-(2-methylpropyl)-4-oxido-2-pyrazin-4-iumone IUPAC Name: 6-(1H-indol-3-ylmethyl)-5-methoxy-1-methyl-3-(2-methylpropyl)-4-oxidopyrazin-4-ium-2-one Traditional Name: 6-(1H-indol-3-ylmethyl)-3-isobutyl-5-methoxy-1-methyl-4-oxido-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(N(C1=O)C)CC2=CNC3=CC=CC=C32)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N(C1=O)C)CC2=CNC3=CC=CC=C32)OC)[O-]

InChI

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