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

Systemtic Name: ethyl 3-[3-methoxy-1-methyl-5-(2-methylpropyl)-4-oxidanidyl-6-oxidanylidene-pyrazin-4-ium-2-yl]-1H-indole-4-carboxylate Openeye Name: ethyl 3-(5-isobutyl-3-methoxy-1-methyl-4-oxido-6-oxo-pyrazin-4-ium-2-yl)-1H-indole-4-carboxylate CAS Name: 3-[3-methoxy-1-methyl-5-(2-methylpropyl)-4-oxido-6-oxo-2-pyrazin-4-iumyl]-1H-indole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-methoxy-1-methyl-5-(2-methylpropyl)-4-oxido-6-oxopyrazin-4-ium-2-yl]-1H-indole-4-carboxylate Traditional Name: 3-(5-isobutyl-6-keto-3-methoxy-1-methyl-4-oxido-pyrazin-4-ium-2-yl)-1H-indole-4-carboxylic acid ethyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=CC=C1)NC=C2C3=C([N+](=C(C(=O)N3C)CC(C)C)[O-])OC

Isomeric SMILES

CCOC(=O)C1=C2C(=CC=C1)NC=C2C3=C([N+](=C(C(=O)N3C)CC(C)C)[O-])OC

InChI

InChI=1S/C21H25N3O5/c1-6-29-21(26)13-8-7-9-15-17(13)14(11-22-15)18-20(28-5)24(27)16(10-12(2)3)19(25)23(18)4/h7-9,11-12,22H,6,10H2,1-5H3