N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-2-(3-methyl-1-oxidanylidene-isoquinolin-2-yl)ethanamide

Systemtic Name: N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-2-(3-methyl-1-oxidanylidene-isoquinolin-2-yl)ethanamide Openeye Name: N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-2-(3-methyl-1-oxo-2-isoquinolyl)acetamide CAS Name: N-[3-(3,5-dimethyl-1-piperidin-1-iumyl)propyl]-2-(3-methyl-1-oxo-2-isoquinolinyl)acetamide IUPAC Name: N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-2-(3-methyl-1-oxoisoquinolin-2-yl)acetamide Traditional Name: N-[3-(3,5-dimethylpiperidin-1-ium-1-yl)propyl]-2-(1-keto-3-methyl-2-isoquinolyl)acetamide Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCCNC(=O)CN2C(=CC3=CC=CC=C3C2=O)C)C

Isomeric SMILES

CC1CC(C[NH+](C1)CCCNC(=O)CN2C(=CC3=CC=CC=C3C2=O)C)C

InChI

InChI=1S/C22H31N3O2/c1-16-11-17(2)14-24(13-16)10-6-9-23-21(26)15-25-18(3)12-19-7-4-5-8-20(19)22(25)27/h4-5,7-8,12,16-17H,6,9-11,13-15H2,1-3H3,(H,23,26)/p+1