5-[(2R)-2-methylpiperazin-4-ium-1-yl]sulfonylisoquinoline

Systemtic Name: 5-[(2R)-2-methylpiperazin-4-ium-1-yl]sulfonylisoquinoline Openeye Name: 5-[(2R)-2-methylpiperazin-4-ium-1-yl]sulfonylisoquinoline CAS Name: 5-[[(2R)-2-methyl-1-piperazin-4-iumyl]sulfonyl]isoquinoline IUPAC Name: 5-[(2R)-2-methylpiperazin-4-ium-1-yl]sulfonylisoquinoline Traditional Name: 5-[(2R)-2-methylpiperazin-4-ium-1-yl]sulfonylisoquinoline Formula: C14H18N3O2S+ MolecularWeight: 292.37662

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH2+]CCN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C[C@@H]1C[NH2+]CCN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C14H17N3O2S/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3/p+1/t11-/m1/s1