3-[[(3R)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]propyl-diethyl-azanium

Systemtic Name: 3-[[(3R)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]propyl-diethyl-azanium Openeye Name: 3-[[(3R)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[(3R)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[(3R)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]propyl-diethylazanium Traditional Name: 3-[[(3R)-2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]propyl-diethyl-ammonium Formula: C25H36N3O5S+ MolecularWeight: 490.63544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O5S/c1-5-27(6-2)15-9-14-26-25(29)22-16-19-10-7-8-11-20(19)18-28(22)34(30,31)21-12-13-23(32-3)24(17-21)33-4/h7-8,10-13,17,22H,5-6,9,14-16,18H2,1-4H3,(H,26,29)/p+1/t22-/m1/s1