N-[2-[(3,6-dimethylquinolin-1-ium-2-yl)amino]ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[(3,6-dimethylquinolin-1-ium-2-yl)amino]ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[(3,6-dimethylquinolin-1-ium-2-yl)amino]ethyl]adamantane-1-carboxamide CAS Name: N-[2-[(3,6-dimethyl-2-quinolin-1-iumyl)amino]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[(3,6-dimethylquinolin-1-ium-2-yl)amino]ethyl]adamantane-1-carboxamide Traditional Name: N-[2-[(3,6-dimethylquinolin-1-ium-2-yl)amino]ethyl]adamantane-1-carboxamide Formula: C24H32N3O+ MolecularWeight: 378.53038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C([NH+]=C2C=C1)NCCNC(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC2=CC(=C([NH+]=C2C=C1)NCCNC(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C24H31N3O/c1-15-3-4-21-20(7-15)8-16(2)22(27-21)25-5-6-26-23(28)24-12-17-9-18(13-24)11-19(10-17)14-24/h3-4,7-8,17-19H,5-6,9-14H2,1-2H3,(H,25,27)(H,26,28)/p+1