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

Systemtic Name: (1S,5R,6S)-2-azanyl-4,4-diethoxy-6-(3-phenylmethoxyphenyl)-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Openeye Name: (1S,5R,6S)-2-amino-6-(3-benzyloxyphenyl)-4,4-diethoxy-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile CAS Name: (1S,5R,6S)-2-amino-4,4-diethoxy-6-(3-phenylmethoxyphenyl)-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile IUPAC Name: (1S,5R,6S)-2-amino-4,4-diethoxy-6-(3-phenylmethoxyphenyl)-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Traditional Name: (1S,5R,6S)-2-amino-6-(3-benzoxyphenyl)-4,4-diethoxy-3-azoniabicyclo[3.1.0]hex-2-ene-1,5-dicarbonitrile Formula: C24H25N4O3+ MolecularWeight: 417.4803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C2(C(C2(C(=[NH+]1)N)C#N)C3=CC(=CC=C3)OCC4=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)OCC4=CC=CC=C4)C#N)OCC

InChI

InChI=1S/C24H24N4O3/c1-3-30-24(31-4-2)23(16-26)20(22(23,15-25)21(27)28-24)18-11-8-12-19(13-18)29-14-17-9-6-5-7-10-17/h5-13,20H,3-4,14H2,1-2H3,(H2,27,28)/p+1/t20-,22+,23+/m0/s1