2-[[(3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[(3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[(3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[(3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[(3S)-2-esyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]ethyl-diisopropyl-ammonium Formula: C20H34N3O3S+ MolecularWeight: 396.56726

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NCC[NH+](C(C)C)C(C)C

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NCC[NH+](C(C)C)C(C)C

InChI

InChI=1S/C20H33N3O3S/c1-6-27(25,26)23-14-18-10-8-7-9-17(18)13-19(23)20(24)21-11-12-22(15(2)3)16(4)5/h7-10,15-16,19H,6,11-14H2,1-5H3,(H,21,24)/p+1/t19-/m0/s1