N-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-4-ethyl-benzamide

Systemtic Name: N-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-4-ethyl-benzamide Openeye Name: N-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-4-ethyl-benzamide CAS Name: N-[2-[(3-cyano-5,7-dimethyl-2-quinolin-1-iumyl)amino]ethyl]-4-ethylbenzamide IUPAC Name: N-[2-[(3-cyano-5,7-dimethylquinolin-1-ium-2-yl)amino]ethyl]-4-ethylbenzamide Traditional Name: N-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]-4-ethyl-benzamide Formula: C23H25N4O+ MolecularWeight: 373.4708

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NCCNC2=[NH+]C3=CC(=CC(=C3C=C2C#N)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NCCNC2=[NH+]C3=CC(=CC(=C3C=C2C#N)C)C

InChI

InChI=1S/C23H24N4O/c1-4-17-5-7-18(8-6-17)23(28)26-10-9-25-22-19(14-24)13-20-16(3)11-15(2)12-21(20)27-22/h5-8,11-13H,4,9-10H2,1-3H3,(H,25,27)(H,26,28)/p+1