N-[3-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]propyl]adamantane-1-carboxamide Openeye Name: N-[3-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]propyl]adamantane-1-carboxamide CAS Name: N-[3-[(3-cyano-7,8-dimethyl-2-quinolin-1-iumyl)amino]propyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[(3-cyano-7,8-dimethylquinolin-1-ium-2-yl)amino]propyl]adamantane-1-carboxamide Traditional Name: N-[3-[(3-cyano-7,8-dimethyl-quinolin-1-ium-2-yl)amino]propyl]adamantane-1-carboxamide Formula: C26H33N4O+ MolecularWeight: 417.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=[NH+]2)NCCCNC(=O)C34CC5CC(C3)CC(C5)C4)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=[NH+]2)NCCCNC(=O)C34CC5CC(C3)CC(C5)C4)C#N)C

InChI

InChI=1S/C26H32N4O/c1-16-4-5-21-11-22(15-27)24(30-23(21)17(16)2)28-6-3-7-29-25(31)26-12-18-8-19(13-26)10-20(9-18)14-26/h4-5,11,18-20H,3,6-10,12-14H2,1-2H3,(H,28,30)(H,29,31)/p+1