(4S)-3-methyl-4-propan-2-yl-2-[(1S)-1-propyl-3,4-dihydro-2H-naphthalen-1-yl]-4,5-dihydro-1,3-oxazol-3-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: (4S)-3-methyl-4-propan-2-yl-2-[(1S)-1-propyl-3,4-dihydro-2H-naphthalen-1-yl]-4,5-dihydro-1,3-oxazol-3-ium; tris(fluoranyl)methanesulfonate Openeye Name: (4S)-4-isopropyl-3-methyl-2-[(1S)-1-propyltetralin-1-yl]-4,5-dihydrooxazol-3-ium; trifluoromethanesulfonate CAS Name: (4S)-3-methyl-4-propan-2-yl-2-[(1S)-1-propyl-3,4-dihydro-2H-naphthalen-1-yl]-4,5-dihydrooxazol-3-ium; trifluoromethanesulfonate IUPAC Name: (4S)-3-methyl-4-propan-2-yl-2-[(1S)-1-propyl-3,4-dihydro-2H-naphthalen-1-yl]-4,5-dihydro-1,3-oxazol-3-ium; trifluoromethanesulfonate Traditional Name: (4S)-4-isopropyl-3-methyl-2-[(1S)-1-propyltetralin-1-yl]-2-oxazolin-3-ium triflate Formula: C21H30F3NO4S MolecularWeight: 449.52741

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCCC2=CC=CC=C21)C3=[N+](C(CO3)C(C)C)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCC[C@@]1(CCCC2=CC=CC=C21)C3=[N+]([C@H](CO3)C(C)C)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C20H30NO.CHF3O3S/c1-5-12-20(19-21(4)18(14-22-19)15(2)3)13-8-10-16-9-6-7-11-17(16)20;2-1(3,4)8(5,6)7/h6-7,9,11,15,18H,5,8,10,12-14H2,1-4H3;(H,5,6,7)/q+1;/p-1/t18-,20+;/m1./s1