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

Systemtic Name: 3-methyl-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]isoquinolin-1-one Openeye Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-3-methyl-isoquinolin-1-one CAS Name: 3-methyl-2-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-1-isoquinolinone IUPAC Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-3-methylisoquinolin-1-one Traditional Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-3-methyl-isocarbostyril Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C(=O)N1CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=CC=CC=C2C(=O)N1CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2/c1-18-15-20-9-5-6-10-21(20)23(28)26(18)17-22(27)25-13-11-24(12-14-25)16-19-7-3-2-4-8-19/h2-10,15H,11-14,16-17H2,1H3/p+1