4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2H-isoquinolin-1-one

Systemtic Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2H-isoquinolin-1-one Openeye Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2H-isoquinolin-1-one CAS Name: 4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-2H-isoquinolin-1-one IUPAC Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2H-isoquinolin-1-one Traditional Name: 4-(4-ethylpiperazin-4-ium-1-yl)sulfonylisocarbostyril Formula: C15H20N3O3S+ MolecularWeight: 322.4026

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CNC(=O)C3=CC=CC=C32

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C15H19N3O3S/c1-2-17-7-9-18(10-8-17)22(20,21)14-11-16-15(19)13-6-4-3-5-12(13)14/h3-6,11H,2,7-10H2,1H3,(H,16,19)/p+1