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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(NC1=O)CN2C=CC3=C2C=CC(=C3)C#N)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(NC1=O)CN2C=CC3=C2C=CC(=C3)C#N)OC)[O-]

InChI

InChI=1S/C19H20N4O3/c1-12(2)8-17-18(24)21-15(19(26-3)23(17)25)11-22-7-6-14-9-13(10-20)4-5-16(14)22/h4-7,9,12H,8,11H2,1-3H3,(H,21,24)