2-(3,3-diethyl-4H-isoquinolin-2-ium-1-yl)-1-morpholin-4-yl-ethanone; hydrogen sulfate

Systemtic Name: 2-(3,3-diethyl-4H-isoquinolin-2-ium-1-yl)-1-morpholin-4-yl-ethanone; hydrogen sulfate Openeye Name: 2-(3,3-diethyl-4H-isoquinolin-2-ium-1-yl)-1-morpholino-ethanone; hydrogen sulfate CAS Name: 2-(3,3-diethyl-4H-isoquinolin-2-ium-1-yl)-1-(4-morpholinyl)ethanone; hydrogen sulfate IUPAC Name: 2-(3,3-diethyl-4H-isoquinolin-2-ium-1-yl)-1-morpholin-4-ylethanone; hydrogen sulfate Traditional Name: 2-(3,3-diethyl-4H-isoquinolin-2-ium-1-yl)-1-morpholino-ethanone bisulfate Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC2=CC=CC=C2C(=[NH+]1)CC(=O)N3CCOCC3)CC.OS(=O)(=O)[O-]

Isomeric SMILES

CCC1(CC2=CC=CC=C2C(=[NH+]1)CC(=O)N3CCOCC3)CC.OS(=O)(=O)[O-]

InChI

InChI=1S/C19H26N2O2.H2O4S/c1-3-19(4-2)14-15-7-5-6-8-16(15)17(20-19)13-18(22)21-9-11-23-12-10-21;1-5(2,3)4/h5-8H,3-4,9-14H2,1-2H3;(H2,1,2,3,4)