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

Systemtic Name: 6-(indol-1-ylmethyl)-5-methoxy-3-(2-methylpropyl)-4-oxidanidyl-1H-pyrazin-4-ium-2-one Openeye Name: 6-(indol-1-ylmethyl)-3-isobutyl-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one CAS Name: 6-(1-indolylmethyl)-5-methoxy-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one IUPAC Name: 6-(indol-1-ylmethyl)-5-methoxy-3-(2-methylpropyl)-4-oxido-1H-pyrazin-4-ium-2-one Traditional Name: 6-(indol-1-ylmethyl)-3-isobutyl-5-methoxy-4-oxido-1H-pyrazin-4-ium-2-one Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(NC1=O)CN2C=CC3=CC=CC=C32)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(NC1=O)CN2C=CC3=CC=CC=C32)OC)[O-]

InChI

InChI=1S/C18H21N3O3/c1-12(2)10-16-17(22)19-14(18(24-3)21(16)23)11-20-9-8-13-6-4-5-7-15(13)20/h4-9,12H,10-11H2,1-3H3,(H,19,22)