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

Systemtic Name: 4-tert-butyl-N-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]benzamide Openeye Name: 4-tert-butyl-N-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]benzamide CAS Name: 4-tert-butyl-N-[2-[(3-cyano-5,7-dimethyl-2-quinolin-1-iumyl)amino]ethyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[(3-cyano-5,7-dimethylquinolin-1-ium-2-yl)amino]ethyl]benzamide Traditional Name: 4-tert-butyl-N-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]benzamide Formula: C25H29N4O+ MolecularWeight: 401.52396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=[NH+]C2=C1)NCCNC(=O)C3=CC=C(C=C3)C(C)(C)C)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=[NH+]C2=C1)NCCNC(=O)C3=CC=C(C=C3)C(C)(C)C)C#N)C

InChI

InChI=1S/C25H28N4O/c1-16-12-17(2)21-14-19(15-26)23(29-22(21)13-16)27-10-11-28-24(30)18-6-8-20(9-7-18)25(3,4)5/h6-9,12-14H,10-11H2,1-5H3,(H,27,29)(H,28,30)/p+1