(E)-N-[2-[(3-cyano-6-methyl-quinolin-1-ium-2-yl)amino]ethyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[2-[(3-cyano-6-methyl-quinolin-1-ium-2-yl)amino]ethyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[2-[(3-cyano-6-methyl-quinolin-1-ium-2-yl)amino]ethyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[2-[(3-cyano-6-methyl-2-quinolin-1-iumyl)amino]ethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[2-[(3-cyano-6-methylquinolin-1-ium-2-yl)amino]ethyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[2-[(3-cyano-6-methyl-quinolin-1-ium-2-yl)amino]ethyl]-3-phenyl-acrylamide Formula: C22H21N4O+ MolecularWeight: 357.42834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCNC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H20N4O/c1-16-7-9-20-18(13-16)14-19(15-23)22(26-20)25-12-11-24-21(27)10-8-17-5-3-2-4-6-17/h2-10,13-14H,11-12H2,1H3,(H,24,27)(H,25,26)/p+1/b10-8+