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

Systemtic Name: N-[3-[(3-cyano-7-methyl-quinolin-1-ium-2-yl)amino]propyl]adamantane-1-carboxamide Openeye Name: N-[3-[(3-cyano-7-methyl-quinolin-1-ium-2-yl)amino]propyl]adamantane-1-carboxamide CAS Name: N-[3-[(3-cyano-7-methyl-2-quinolin-1-iumyl)amino]propyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[(3-cyano-7-methylquinolin-1-ium-2-yl)amino]propyl]adamantane-1-carboxamide Traditional Name: N-[3-[(3-cyano-7-methyl-quinolin-1-ium-2-yl)amino]propyl]adamantane-1-carboxamide Formula: C25H31N4O+ MolecularWeight: 403.53984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=[NH+]2)NCCCNC(=O)C34CC5CC(C3)CC(C5)C4)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=[NH+]2)NCCCNC(=O)C34CC5CC(C3)CC(C5)C4)C#N

InChI

InChI=1S/C25H30N4O/c1-16-3-4-20-11-21(15-26)23(29-22(20)7-16)27-5-2-6-28-24(30)25-12-17-8-18(13-25)10-19(9-17)14-25/h3-4,7,11,17-19H,2,5-6,8-10,12-14H2,1H3,(H,27,29)(H,28,30)/p+1