3-[[(3S)-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3S)-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[(3S)-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(3S)-2-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]propyl-dimethyl-ammonium Formula: C23H32N3O5S+ MolecularWeight: 462.58228

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

C[NH+](C)CCCNC(=O)[C@@H]1CC2=CC=CC=C2CN1S(=O)(=O)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C23H31N3O5S/c1-25(2)13-7-12-24-23(27)20-14-17-8-5-6-9-18(17)16-26(20)32(28,29)22-15-19(30-3)10-11-21(22)31-4/h5-6,8-11,15,20H,7,12-14,16H2,1-4H3,(H,24,27)/p+1/t20-/m0/s1