1-[(3aS,7aS)-3a,7a-dicyano-3,3-dimethoxy-6-methyl-4,7-dihydroisoindol-2-ium-1-yl]-3-phenyl-urea

Systemtic Name: 1-[(3aS,7aS)-3a,7a-dicyano-3,3-dimethoxy-6-methyl-4,7-dihydroisoindol-2-ium-1-yl]-3-phenyl-urea Openeye Name: 1-[(3aS,7aS)-3a,7a-dicyano-3,3-dimethoxy-6-methyl-4,7-dihydroisoindol-2-ium-1-yl]-3-phenyl-urea CAS Name: 1-[(3aS,7aS)-3a,7a-dicyano-3,3-dimethoxy-6-methyl-4,7-dihydroisoindol-2-ium-1-yl]-3-phenylurea IUPAC Name: 1-[(3aS,7aS)-3a,7a-dicyano-3,3-dimethoxy-6-methyl-4,7-dihydroisoindol-2-ium-1-yl]-3-phenylurea Traditional Name: 1-[(3aS,7aS)-3a,7a-dicyano-3,3-dimethoxy-6-methyl-4,7-dihydroisoindol-2-ium-1-yl]-3-phenyl-urea Formula: C20H22N5O3+ MolecularWeight: 380.42038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2(C(C1)(C(=[NH+]C2(OC)OC)NC(=O)NC3=CC=CC=C3)C#N)C#N

Isomeric SMILES

CC1=CC[C@]2([C@](C1)(C(=[NH+]C2(OC)OC)NC(=O)NC3=CC=CC=C3)C#N)C#N

InChI

InChI=1S/C20H21N5O3/c1-14-9-10-19(13-22)18(11-14,12-21)16(25-20(19,27-2)28-3)24-17(26)23-15-7-5-4-6-8-15/h4-9H,10-11H2,1-3H3,(H2,23,24,25,26)/p+1/t18-,19+/m0/s1