N-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-methyl-benzamide

Systemtic Name: N-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-methyl-benzamide Openeye Name: N-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-methyl-benzamide CAS Name: N-[2-[(3-cyano-5,7-dimethyl-2-quinolin-1-iumyl)amino]ethyl]-3-methylbenzamide IUPAC Name: N-[2-[(3-cyano-5,7-dimethylquinolin-1-ium-2-yl)amino]ethyl]-3-methylbenzamide Traditional Name: N-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-3-methyl-benzamide Formula: C22H23N4O+ MolecularWeight: 359.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCCNC2=[NH+]C3=CC(=CC(=C3C=C2C#N)C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCCNC2=[NH+]C3=CC(=CC(=C3C=C2C#N)C)C

InChI

InChI=1S/C22H22N4O/c1-14-5-4-6-17(10-14)22(27)25-8-7-24-21-18(13-23)12-19-16(3)9-15(2)11-20(19)26-21/h4-6,9-12H,7-8H2,1-3H3,(H,24,26)(H,25,27)/p+1