2-azanyl-4-(1,3-benzodioxol-5-yl)-5-ethyl-6-phenyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-5-ethyl-6-phenyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5-ethyl-6-phenyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5-ethyl-6-phenyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5-ethyl-6-phenylpyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-5-ethyl-6-phenyl-pyridin-1-ium-3-carbonitrile Formula: C21H18N3O2+ MolecularWeight: 344.38652

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C([NH+]=C(C(=C1C2=CC3=C(C=C2)OCO3)C#N)N)C4=CC=CC=C4

Isomeric SMILES

CCC1=C([NH+]=C(C(=C1C2=CC3=C(C=C2)OCO3)C#N)N)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O2/c1-2-15-19(14-8-9-17-18(10-14)26-12-25-17)16(11-22)21(23)24-20(15)13-6-4-3-5-7-13/h3-10H,2,12H2,1H3,(H2,23,24)/p+1