1-(azepan-1-yl)-2-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)ethanone chloride

Systemtic Name: 1-(azepan-1-yl)-2-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)ethanone chloride Openeye Name: 1-(azepan-1-yl)-2-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)ethanone chloride CAS Name: 1-(1-azepanyl)-2-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)ethanone chloride IUPAC Name: 1-(azepan-1-yl)-2-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)ethanone chloride Traditional Name: 1-(azepan-1-yl)-2-(3,3-dimethyl-4H-isoquinolin-2-ium-1-yl)ethanone chloride Formula: C19H27ClN2O MolecularWeight: 334.88348

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=[NH+]1)CC(=O)N3CCCCCC3)C.[Cl-]

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=[NH+]1)CC(=O)N3CCCCCC3)C.[Cl-]

InChI

InChI=1S/C19H26N2O.ClH/c1-19(2)14-15-9-5-6-10-16(15)17(20-19)13-18(22)21-11-7-3-4-8-12-21;/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3;1H