(3aS,7aS)-3-azanyl-1,1-dimethoxy-5-methyl-4,7-dihydroisoindol-2-ium-3a,7a-dicarbonitrile

Systemtic Name: (3aS,7aS)-3-azanyl-1,1-dimethoxy-5-methyl-4,7-dihydroisoindol-2-ium-3a,7a-dicarbonitrile Openeye Name: (3aS,7aS)-3-amino-1,1-dimethoxy-5-methyl-4,7-dihydroisoindol-2-ium-3a,7a-dicarbonitrile CAS Name: (3aS,7aS)-3-amino-1,1-dimethoxy-5-methyl-4,7-dihydroisoindol-2-ium-3a,7a-dicarbonitrile IUPAC Name: (3aS,7aS)-3-amino-1,1-dimethoxy-5-methyl-4,7-dihydroisoindol-2-ium-3a,7a-dicarbonitrile Traditional Name: (3aS,7aS)-3-amino-1,1-dimethoxy-5-methyl-4,7-dihydroisoindol-2-ium-3a,7a-dicarbonitrile Formula: C13H17N4O2+ MolecularWeight: 261.29968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2(C(C1)(C(=[NH+]C2(OC)OC)N)C#N)C#N

Isomeric SMILES

CC1=CC[C@]2([C@](C1)(C(=[NH+]C2(OC)OC)N)C#N)C#N

InChI

InChI=1S/C13H16N4O2/c1-9-4-5-12(8-15)11(6-9,7-14)10(16)17-13(12,18-2)19-3/h4H,5-6H2,1-3H3,(H2,16,17)/p+1/t11-,12+/m0/s1