3-methyl-2-[2-oxidanylidene-2-(4-propylpiperazin-4-ium-1-yl)ethyl]isoquinolin-1-one

Systemtic Name: 3-methyl-2-[2-oxidanylidene-2-(4-propylpiperazin-4-ium-1-yl)ethyl]isoquinolin-1-one Openeye Name: 3-methyl-2-[2-oxo-2-(4-propylpiperazin-4-ium-1-yl)ethyl]isoquinolin-1-one CAS Name: 3-methyl-2-[2-oxo-2-(4-propyl-1-piperazin-4-iumyl)ethyl]-1-isoquinolinone IUPAC Name: 3-methyl-2-[2-oxo-2-(4-propylpiperazin-4-ium-1-yl)ethyl]isoquinolin-1-one Traditional Name: 2-[2-keto-2-(4-propylpiperazin-4-ium-1-yl)ethyl]-3-methyl-isocarbostyril Formula: C19H26N3O2+ MolecularWeight: 328.42864

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)CN2C(=CC3=CC=CC=C3C2=O)C

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)CN2C(=CC3=CC=CC=C3C2=O)C

InChI

InChI=1S/C19H25N3O2/c1-3-8-20-9-11-21(12-10-20)18(23)14-22-15(2)13-16-6-4-5-7-17(16)19(22)24/h4-7,13H,3,8-12,14H2,1-2H3/p+1