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

Systemtic Name: N-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]adamantane-1-carboxamide CAS Name: N-[2-[(3-cyano-5,7-dimethyl-2-quinolin-1-iumyl)amino]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[(3-cyano-5,7-dimethylquinolin-1-ium-2-yl)amino]ethyl]adamantane-1-carboxamide Traditional Name: N-[2-[(3-cyano-5,7-dimethyl-quinolin-1-ium-2-yl)amino]ethyl]adamantane-1-carboxamide Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=[NH+]C2=C1)NCCNC(=O)C34CC5CC(C3)CC(C5)C4)C#N)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=[NH+]C2=C1)NCCNC(=O)C34CC5CC(C3)CC(C5)C4)C#N)C

InChI

InChI=1S/C25H30N4O/c1-15-5-16(2)21-10-20(14-26)23(29-22(21)6-15)27-3-4-28-24(30)25-11-17-7-18(12-25)9-19(8-17)13-25/h5-6,10,17-19H,3-4,7-9,11-13H2,1-2H3,(H,27,29)(H,28,30)/p+1