4-[(8S)-8-oxidanyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl]butan-2-one

Systemtic Name: 4-[(8S)-8-oxidanyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl]butan-2-one Openeye Name: 4-[(8S)-8-hydroxy-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl]butan-2-one CAS Name: 4-[(8S)-8-hydroxy-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl]-2-butanone IUPAC Name: 4-[(8S)-8-hydroxy-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-6-yl]butan-2-one Traditional Name: 4-[(8S)-8-hydroxy-5,6,7,8-tetrahydro-[1,3]dioxol[4,5-g]isoquinolin-6-ium-6-yl]butan-2-one Formula: C14H18NO4+ MolecularWeight: 264.29702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC[NH+]1CC(C2=CC3=C(C=C2C1)OCO3)O

Isomeric SMILES

CC(=O)CC[NH+]1C[C@H](C2=CC3=C(C=C2C1)OCO3)O

InChI

InChI=1S/C14H17NO4/c1-9(16)2-3-15-6-10-4-13-14(19-8-18-13)5-11(10)12(17)7-15/h4-5,12,17H,2-3,6-8H2,1H3/p+1/t12-/m1/s1