3-[3-methoxy-1-methyl-5-(2-methylpropyl)-4-oxidanidyl-6-oxidanylidene-pyrazin-4-ium-2-yl]-1H-indole-4-carboxylic acid

Systemtic Name: 3-[3-methoxy-1-methyl-5-(2-methylpropyl)-4-oxidanidyl-6-oxidanylidene-pyrazin-4-ium-2-yl]-1H-indole-4-carboxylic acid Openeye Name: 3-(5-isobutyl-3-methoxy-1-methyl-4-oxido-6-oxo-pyrazin-4-ium-2-yl)-1H-indole-4-carboxylic acid CAS Name: 3-[3-methoxy-1-methyl-5-(2-methylpropyl)-4-oxido-6-oxo-2-pyrazin-4-iumyl]-1H-indole-4-carboxylic acid IUPAC Name: 3-[3-methoxy-1-methyl-5-(2-methylpropyl)-4-oxido-6-oxopyrazin-4-ium-2-yl]-1H-indole-4-carboxylic acid Traditional Name: 3-(5-isobutyl-6-keto-3-methoxy-1-methyl-4-oxido-pyrazin-4-ium-2-yl)-1H-indole-4-carboxylic acid Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N(C1=O)C)C2=CNC3=CC=CC(=C32)C(=O)O)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N(C1=O)C)C2=CNC3=CC=CC(=C32)C(=O)O)OC)[O-]

InChI

InChI=1S/C19H21N3O5/c1-10(2)8-14-17(23)21(3)16(18(27-4)22(14)26)12-9-20-13-7-5-6-11(15(12)13)19(24)25/h5-7,9-10,20H,8H2,1-4H3,(H,24,25)