2-(3-methyl-1-oxidanylidene-isoquinolin-2-yl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]ethanamide

Systemtic Name: 2-(3-methyl-1-oxidanylidene-isoquinolin-2-yl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]ethanamide Openeye Name: 2-(3-methyl-1-oxo-2-isoquinolyl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]acetamide CAS Name: 2-(3-methyl-1-oxo-2-isoquinolinyl)-N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]acetamide IUPAC Name: 2-(3-methyl-1-oxoisoquinolin-2-yl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]acetamide Traditional Name: 2-(1-keto-3-methyl-2-isoquinolyl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]acetamide Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC(=O)CN2C(=CC3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC(=O)CN2C(=CC3=CC=CC=C3C2=O)C

InChI

InChI=1S/C21H29N3O2/c1-16-8-12-23(13-9-16)11-5-10-22-20(25)15-24-17(2)14-18-6-3-4-7-19(18)21(24)26/h3-4,6-7,14,16H,5,8-13,15H2,1-2H3,(H,22,25)/p+1