6-azanyl-3-tert-butyl-4-pyridin-1-ium-3-yl-2,4-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile

Systemtic Name: 6-azanyl-3-tert-butyl-4-pyridin-1-ium-3-yl-2,4-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile Openeye Name: 6-amino-3-tert-butyl-4-pyridin-1-ium-3-yl-2,4-dihydroisoxazolo[5,4-b]pyridine-5-carbonitrile CAS Name: 6-amino-3-tert-butyl-4-(3-pyridin-1-iumyl)-2,4-dihydroisoxazolo[5,4-b]pyridine-5-carbonitrile IUPAC Name: 6-amino-3-tert-butyl-4-pyridin-1-ium-3-yl-2,4-dihydro-[1,2]oxazolo[5,4-b]pyridine-5-carbonitrile Traditional Name: 6-amino-3-tert-butyl-4-pyridin-1-ium-3-yl-2,4-dihydroisoxazolo[5,4-b]pyridine-5-carbonitrile Formula: C16H18N5O+ MolecularWeight: 296.34702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C(C(=C(N=C2ON1)N)C#N)C3=C[NH+]=CC=C3

Isomeric SMILES

CC(C)(C)C1=C2C(C(=C(N=C2ON1)N)C#N)C3=C[NH+]=CC=C3

InChI

InChI=1S/C16H17N5O/c1-16(2,3)13-12-11(9-5-4-6-19-8-9)10(7-17)14(18)20-15(12)22-21-13/h4-6,8,11,21H,18H2,1-3H3/p+1