N-[3-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]propyl]adamantane-1-carboxamide Openeye Name: N-[3-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]propyl]adamantane-1-carboxamide CAS Name: N-[3-[(3-cyano-6-ethoxy-2-quinolin-1-iumyl)amino]propyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[(3-cyano-6-ethoxyquinolin-1-ium-2-yl)amino]propyl]adamantane-1-carboxamide Traditional Name: N-[3-[(3-cyano-6-ethoxy-quinolin-1-ium-2-yl)amino]propyl]adamantane-1-carboxamide Formula: C26H33N4O2+ MolecularWeight: 433.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2)C#N)NCCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H32N4O2/c1-2-32-22-4-5-23-20(12-22)11-21(16-27)24(30-23)28-6-3-7-29-25(31)26-13-17-8-18(14-26)10-19(9-17)15-26/h4-5,11-12,17-19H,2-3,6-10,13-15H2,1H3,(H,28,30)(H,29,31)/p+1