2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

Systemtic Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Openeye Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone CAS Name: 2-[4-(3-chlorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone IUPAC Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Traditional Name: 2-[4-(3-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone Formula: C21H25ClN3O3S+ MolecularWeight: 434.9595

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H24ClN3O3S/c22-19-6-3-7-20(14-19)29(27,28)25-12-10-23(11-13-25)16-21(26)24-9-8-17-4-1-2-5-18(17)15-24/h1-7,14H,8-13,15-16H2/p+1