3,4-dihydro-1H-isoquinolin-2-yl-[(2S,4R)-4-oxidanylpyrrolidin-1-ium-2-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(2S,4R)-4-oxidanylpyrrolidin-1-ium-2-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(2S,4R)-4-hydroxy-2-pyrrolidin-1-iumyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[(2S,4R)-4-hydroxypyrrolidin-1-ium-2-yl]methanone Formula: C14H19N2O2+ MolecularWeight: 247.31286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3CC(C[NH2+]3)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)[C@@H]3C[C@H](C[NH2+]3)O

InChI

InChI=1S/C14H18N2O2/c17-12-7-13(15-8-12)14(18)16-6-5-10-3-1-2-4-11(10)9-16/h1-4,12-13,15,17H,5-9H2/p+1/t12-,13+/m1/s1