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

Systemtic Name: 1-[3-methoxy-1-methyl-5-(2-methylpropyl)-4-oxidanidyl-6-oxidanylidene-pyrazin-4-ium-2-yl]indole-5-carbonitrile Openeye Name: 1-(5-isobutyl-3-methoxy-1-methyl-4-oxido-6-oxo-pyrazin-4-ium-2-yl)indole-5-carbonitrile CAS Name: 1-[3-methoxy-1-methyl-5-(2-methylpropyl)-4-oxido-6-oxo-2-pyrazin-4-iumyl]-5-indolecarbonitrile IUPAC Name: 1-[3-methoxy-1-methyl-5-(2-methylpropyl)-4-oxido-6-oxopyrazin-4-ium-2-yl]indole-5-carbonitrile Traditional Name: 1-(5-isobutyl-6-keto-3-methoxy-1-methyl-4-oxido-pyrazin-4-ium-2-yl)indole-5-carbonitrile Formula: C19H20N4O3 MolecularWeight: 352.3871

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N(C1=O)C)N2C=CC3=C2C=CC(=C3)C#N)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N(C1=O)C)N2C=CC3=C2C=CC(=C3)C#N)OC)[O-]

InChI

InChI=1S/C19H20N4O3/c1-12(2)9-16-18(24)21(3)17(19(26-4)23(16)25)22-8-7-14-10-13(11-20)5-6-15(14)22/h5-8,10,12H,9H2,1-4H3