2-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-5-methyl-hexanamide chloride

Systemtic Name: 2-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-5-methyl-hexanamide chloride Openeye Name: 2-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-5-methyl-hexanamide chloride CAS Name: 2-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-5-methylhexanamide chloride IUPAC Name: 2-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-5-methylhexanamide chloride Traditional Name: 2-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)-5-methyl-hexanamide chloride Formula: C18H27ClN2O MolecularWeight: 322.87278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C1=[NH+]C(CC2=CC=CC=C21)(C)C)C(=O)N.[Cl-]

Isomeric SMILES

CC(C)CCC(C1=[NH+]C(CC2=CC=CC=C21)(C)C)C(=O)N.[Cl-]

InChI

InChI=1S/C18H26N2O.ClH/c1-12(2)9-10-15(17(19)21)16-14-8-6-5-7-13(14)11-18(3,4)20-16;/h5-8,12,15H,9-11H2,1-4H3,(H2,19,21);1H