(E)-2-cyano-3-[2-(dimethylamino)-7-methyl-quinolin-1-ium-3-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[2-(dimethylamino)-7-methyl-quinolin-1-ium-3-yl]prop-2-enamide Openeye Name: (E)-2-cyano-3-[2-(dimethylamino)-7-methyl-quinolin-1-ium-3-yl]prop-2-enamide CAS Name: (E)-2-cyano-3-[2-(dimethylamino)-7-methyl-3-quinolin-1-iumyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[2-(dimethylamino)-7-methylquinolin-1-ium-3-yl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[2-(dimethylamino)-7-methyl-quinolin-1-ium-3-yl]acrylamide Formula: C16H17N4O+ MolecularWeight: 281.33238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[NH+]C(=C(C=C2C=C1)C=C(C#N)C(=O)N)N(C)C

Isomeric SMILES

CC1=CC2=[NH+]C(=C(C=C2C=C1)/C=C(\C#N)/C(=O)N)N(C)C

InChI

InChI=1S/C16H16N4O/c1-10-4-5-11-7-12(8-13(9-17)15(18)21)16(20(2)3)19-14(11)6-10/h4-8H,1-3H3,(H2,18,21)/p+1/b13-8+