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

Systemtic Name: 2-azanyl-6-(3,4-dimethoxyphenyl)-4,4-dipropoxy-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: 2-amino-6-(3,4-dimethoxyphenyl)-4,4-dipropoxy-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: 2-amino-6-(3,4-dimethoxyphenyl)-4,4-dipropoxy-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: 2-amino-6-(3,4-dimethoxyphenyl)-4,4-dipropoxy-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: 2-amino-6-(3,4-dimethoxyphenyl)-4,4-dipropoxy-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1(C2(C(C2(C(=[NH+]1)N)C#N)C3=CC(=C(C=C3)OC)OC)C#N)OCCC

Isomeric SMILES

CCCOC1(C2(C(C2(C(=[NH+]1)N)C#N)C3=CC(=C(C=C3)OC)OC)C#N)OCCC

InChI

InChI=1S/C21H26N4O4/c1-5-9-28-21(29-10-6-2)20(13-23)17(19(20,12-22)18(24)25-21)14-7-8-15(26-3)16(11-14)27-4/h7-8,11,17H,5-6,9-10H2,1-4H3,(H2,24,25)/p+1