(E)-2-cyano-3-(7-methyl-2-piperidin-1-yl-quinolin-1-ium-3-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(7-methyl-2-piperidin-1-yl-quinolin-1-ium-3-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[7-methyl-2-(1-piperidyl)quinolin-1-ium-3-yl]prop-2-enamide CAS Name: (E)-2-cyano-3-[7-methyl-2-(1-piperidinyl)-3-quinolin-1-iumyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(7-methyl-2-piperidin-1-ylquinolin-1-ium-3-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(7-methyl-2-piperidino-quinolin-1-ium-3-yl)acrylamide Formula: C19H21N4O+ MolecularWeight: 321.39624

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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)N3CCCCC3

Isomeric SMILES

CC1=CC2=[NH+]C(=C(C=C2C=C1)/C=C(\C#N)/C(=O)N)N3CCCCC3

InChI

InChI=1S/C19H20N4O/c1-13-5-6-14-10-15(11-16(12-20)18(21)24)19(22-17(14)9-13)23-7-3-2-4-8-23/h5-6,9-11H,2-4,7-8H2,1H3,(H2,21,24)/p+1/b16-11+