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

Systemtic Name: 2-azanyl-4-(1,3-benzodioxol-5-yl)-6-ethyl-5-methyl-pyridin-1-ium-3-carbonitrile Openeye Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-ethyl-5-methyl-pyridin-1-ium-3-carbonitrile CAS Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-ethyl-5-methyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-ethyl-5-methylpyridin-1-ium-3-carbonitrile Traditional Name: 2-amino-4-(1,3-benzodioxol-5-yl)-6-ethyl-5-methyl-pyridin-1-ium-3-carbonitrile Formula: C16H16N3O2+ MolecularWeight: 282.31714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C16H15N3O2/c1-3-12-9(2)15(11(7-17)16(18)19-12)10-4-5-13-14(6-10)21-8-20-13/h4-6H,3,8H2,1-2H3,(H2,18,19)/p+1