1-(1-methylpiperazin-1-ium-1-yl)sulfonylisoquinoline

Systemtic Name: 1-(1-methylpiperazin-1-ium-1-yl)sulfonylisoquinoline Openeye Name: 1-(1-methylpiperazin-1-ium-1-yl)sulfonylisoquinoline CAS Name: 1-[(1-methyl-1-piperazin-1-iumyl)sulfonyl]isoquinoline IUPAC Name: 1-(1-methylpiperazin-1-ium-1-yl)sulfonylisoquinoline Traditional Name: 1-(1-methylpiperazin-1-ium-1-yl)sulfonylisoquinoline Formula: C14H18N3O2S+ MolecularWeight: 292.37662

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)S(=O)(=O)C2=NC=CC3=CC=CC=C32

Isomeric SMILES

C[N+]1(CCNCC1)S(=O)(=O)C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C14H18N3O2S/c1-17(10-8-15-9-11-17)20(18,19)14-13-5-3-2-4-12(13)6-7-16-14/h2-7,15H,8-11H2,1H3/q+1