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

Systemtic Name: (1S,5R,6S)-2-azanyl-4,4-diethoxy-6-(3-phenoxyphenyl)-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: (1S,5R,6S)-2-amino-4,4-diethoxy-6-(3-phenoxyphenyl)-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: (1S,5R,6S)-2-amino-4,4-diethoxy-6-(3-phenoxyphenyl)-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: (1S,5R,6S)-2-amino-4,4-diethoxy-6-(3-phenoxyphenyl)-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: (1S,5R,6S)-2-amino-4,4-diethoxy-6-(3-phenoxyphenyl)-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C23H23N4O3+ MolecularWeight: 403.45372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C2(C(C2(C(=[NH+]1)N)C#N)C3=CC(=CC=C3)OC4=CC=CC=C4)C#N)OCC

Isomeric SMILES

CCOC1([C@@]2([C@H]([C@@]2(C(=[NH+]1)N)C#N)C3=CC(=CC=C3)OC4=CC=CC=C4)C#N)OCC

InChI

InChI=1S/C23H22N4O3/c1-3-28-23(29-4-2)22(15-25)19(21(22,14-24)20(26)27-23)16-9-8-12-18(13-16)30-17-10-6-5-7-11-17/h5-13,19H,3-4H2,1-2H3,(H2,26,27)/p+1/t19-,21+,22+/m0/s1