2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]isoquinolin-1-one

Systemtic Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]isoquinolin-1-one Openeye Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]isoquinolin-1-one CAS Name: 2-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-1-isoquinolinone IUPAC Name: 2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]isoquinolin-1-one Traditional Name: 2-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]isocarbostyril Formula: C16H20N3O2+ MolecularWeight: 286.3489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O2/c1-17-8-10-18(11-9-17)15(20)12-19-7-6-13-4-2-3-5-14(13)16(19)21/h2-7H,8-12H2,1H3/p+1