2-methylsulfonyl-7-piperazin-4-ium-1-yl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-methylsulfonyl-7-piperazin-4-ium-1-yl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-methylsulfonyl-7-piperazin-4-ium-1-yl-3,4-dihydro-1H-isoquinoline CAS Name: 2-methylsulfonyl-7-(1-piperazin-4-iumyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-methylsulfonyl-7-piperazin-4-ium-1-yl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-mesyl-7-piperazin-4-ium-1-yl-3,4-dihydro-1H-isoquinoline Formula: C14H22N3O2S+ MolecularWeight: 296.40838

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)N3CC[NH2+]CC3

Isomeric SMILES

CS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)N3CC[NH2+]CC3

InChI

InChI=1S/C14H21N3O2S/c1-20(18,19)17-7-4-12-2-3-14(10-13(12)11-17)16-8-5-15-6-9-16/h2-3,10,15H,4-9,11H2,1H3/p+1