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

Systemtic Name: 2-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-3-methyl-isoquinolin-1-one Openeye Name: 2-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-3-methyl-isoquinolin-1-one CAS Name: 2-[2-(4-ethyl-1-piperazin-4-iumyl)-2-oxoethyl]-3-methyl-1-isoquinolinone IUPAC Name: 2-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-3-methylisoquinolin-1-one Traditional Name: 2-[2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-ethyl]-3-methyl-isocarbostyril Formula: C18H24N3O2+ MolecularWeight: 314.40206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2/c1-3-19-8-10-20(11-9-19)17(22)13-21-14(2)12-15-6-4-5-7-16(15)18(21)23/h4-7,12H,3,8-11,13H2,1-2H3/p+1