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

Systemtic Name: 2-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]isoquinolin-1-one Openeye Name: 2-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]isoquinolin-1-one CAS Name: 2-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]-1-isoquinolinone IUPAC Name: 2-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]isoquinolin-1-one Traditional Name: 2-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]isocarbostyril Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2/c1-2-18-9-11-19(12-10-18)16(21)13-20-8-7-14-5-3-4-6-15(14)17(20)22/h3-8H,2,9-13H2,1H3/p+1