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

Systemtic Name: methyl 3-[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxidanidyl-2H-pyrazin-4-ium-1-yl]indole-1-carboxylate Openeye Name: methyl 3-(5-isobutyl-3-methoxy-6-methyl-4-oxido-2H-pyrazin-4-ium-1-yl)indole-1-carboxylate CAS Name: 3-[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxido-2H-pyrazin-4-ium-1-yl]-1-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-methoxy-6-methyl-5-(2-methylpropyl)-4-oxido-2H-pyrazin-4-ium-1-yl]indole-1-carboxylate Traditional Name: 3-(5-isobutyl-3-methoxy-6-methyl-4-oxido-2H-pyrazin-4-ium-1-yl)indole-1-carboxylic acid methyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=C(CN1C2=CN(C3=CC=CC=C32)C(=O)OC)OC)[O-])CC(C)C

Isomeric SMILES

CC1=C([N+](=C(CN1C2=CN(C3=CC=CC=C32)C(=O)OC)OC)[O-])CC(C)C

InChI

InChI=1S/C20H25N3O4/c1-13(2)10-17-14(3)21(12-19(26-4)23(17)25)18-11-22(20(24)27-5)16-9-7-6-8-15(16)18/h6-9,11,13H,10,12H2,1-5H3