(1S,5R,6R)-2-azanyl-6-(2,5-dimethoxyphenyl)-4,4-diethoxy-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile

Systemtic Name: (1S,5R,6R)-2-azanyl-6-(2,5-dimethoxyphenyl)-4,4-diethoxy-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: (1S,5R,6R)-2-amino-6-(2,5-dimethoxyphenyl)-4,4-diethoxy-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: (1S,5R,6R)-2-amino-6-(2,5-dimethoxyphenyl)-4,4-diethoxy-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: (1S,5R,6R)-2-amino-6-(2,5-dimethoxyphenyl)-4,4-diethoxy-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: (1S,5R,6R)-2-amino-6-(2,5-dimethoxyphenyl)-4,4-diethoxy-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C19H23N4O4+ MolecularWeight: 371.41032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C2(C(C2(C(=[NH+]1)N)C#N)C3=C(C=CC(=C3)OC)OC)C#N)OCC

Isomeric SMILES

CCOC1([C@@]2([C@H]([C@@]2(C(=[NH+]1)N)C#N)C3=C(C=CC(=C3)OC)OC)C#N)OCC

InChI

InChI=1S/C19H22N4O4/c1-5-26-19(27-6-2)18(11-21)15(17(18,10-20)16(22)23-19)13-9-12(24-3)7-8-14(13)25-4/h7-9,15H,5-6H2,1-4H3,(H2,22,23)/p+1/t15-,17+,18+/m0/s1