3-(4-methylpiperazin-4-ium-1-yl)-2H-isoquinolin-1-one

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)-2H-isoquinolin-1-one Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)-2H-isoquinolin-1-one CAS Name: 3-(4-methyl-1-piperazin-4-iumyl)-2H-isoquinolin-1-one IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)-2H-isoquinolin-1-one Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)isocarbostyril Formula: C14H18N3O+ MolecularWeight: 244.31222

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C14H17N3O/c1-16-6-8-17(9-7-16)13-10-11-4-2-3-5-12(11)14(18)15-13/h2-5,10H,6-9H2,1H3,(H,15,18)/p+1