2-[[(3R)-2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[(3R)-2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[[(3R)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]ethyl-diisopropyl-ammonium CAS Name: 2-[[[(3R)-2-[2-furanyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(3R)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[[(3R)-2-(2-furoyl)-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]ethyl-diisopropyl-ammonium Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C1CC2=CC=CC=C2CN1C(=O)C3=CC=CO3)C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)C3=CC=CO3)C(C)C

InChI

InChI=1S/C23H31N3O3/c1-16(2)25(17(3)4)12-11-24-22(27)20-14-18-8-5-6-9-19(18)15-26(20)23(28)21-10-7-13-29-21/h5-10,13,16-17,20H,11-12,14-15H2,1-4H3,(H,24,27)/p+1/t20-/m1/s1