[(3S)-3-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]carbonyloxy]butyl]-diethyl-azanium

Systemtic Name: [(3S)-3-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]carbonyloxy]butyl]-diethyl-azanium Openeye Name: diethyl-[(3S)-3-[(1S)-isochromane-1-carbonyl]oxybutyl]ammonium CAS Name: [(3S)-3-[[(1S)-3,4-dihydro-1H-2-benzopyran-1-yl]-oxomethoxy]butyl]-diethylammonium IUPAC Name: [(3S)-3-[(1S)-3,4-dihydro-1H-isochromene-1-carbonyl]oxybutyl]-diethylazanium Traditional Name: diethyl-[(3S)-3-[(1S)-isochroman-1-carbonyl]oxybutyl]ammonium Formula: C18H28NO3+ MolecularWeight: 306.41982

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC(C)OC(=O)C1C2=CC=CC=C2CCO1

Isomeric SMILES

CC[NH+](CC)CC[C@H](C)OC(=O)[C@@H]1C2=CC=CC=C2CCO1

InChI

InChI=1S/C18H27NO3/c1-4-19(5-2)12-10-14(3)22-18(20)17-16-9-7-6-8-15(16)11-13-21-17/h6-9,14,17H,4-5,10-13H2,1-3H3/p+1/t14-,17-/m0/s1