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

Systemtic Name: 2-ethylsulfonyl-7-piperazin-4-ium-1-yl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-ethylsulfonyl-7-piperazin-4-ium-1-yl-3,4-dihydro-1H-isoquinoline CAS Name: 2-ethylsulfonyl-7-(1-piperazin-4-iumyl)-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-ethylsulfonyl-7-piperazin-4-ium-1-yl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-esyl-7-piperazin-4-ium-1-yl-3,4-dihydro-1H-isoquinoline Formula: C15H24N3O2S+ MolecularWeight: 310.43496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O2S/c1-2-21(19,20)18-8-5-13-3-4-15(11-14(13)12-18)17-9-6-16-7-10-17/h3-4,11,16H,2,5-10,12H2,1H3/p+1