3-(1-oxidanidylindol-1-ium-1-yl)propanenitrile

Systemtic Name: 3-(1-oxidanidylindol-1-ium-1-yl)propanenitrile Openeye Name: 3-(1-oxidoindol-1-ium-1-yl)propanenitrile CAS Name: 3-(1-oxido-1-indol-1-iumyl)propanenitrile IUPAC Name: 3-(1-oxidoindol-1-ium-1-yl)propanenitrile Traditional Name: 3-(1-oxidoindol-1-ium-1-yl)propionitrile Formula: C11H10N2O MolecularWeight: 186.2099

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C[N+]2(CCC#N)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C[N+]2(CCC#N)[O-]

InChI

InChI=1S/C11H10N2O/c12-7-3-8-13(14)9-6-10-4-1-2-5-11(10)13/h1-2,4-6,9H,3,8H2