dimethyl-[3-(4-methylphenyl)isochromen-1-ylidene]azanium; tris(fluoranyl)methanesulfonate

Systemtic Name: dimethyl-[3-(4-methylphenyl)isochromen-1-ylidene]azanium; tris(fluoranyl)methanesulfonate Openeye Name: dimethyl-[3-(p-tolyl)isochromen-1-ylidene]ammonium; trifluoromethanesulfonate CAS Name: dimethyl-[3-(4-methylphenyl)-2-benzopyran-1-ylidene]ammonium; trifluoromethanesulfonate IUPAC Name: dimethyl-[3-(4-methylphenyl)isochromen-1-ylidene]azanium; trifluoromethanesulfonate Traditional Name: dimethyl-[3-(p-tolyl)isochromen-1-ylidene]ammonium triflate Formula: C19H18F3NO4S MolecularWeight: 413.41073

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=[N+](C)C)O2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=[N+](C)C)O2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C18H18NO.CHF3O3S/c1-13-8-10-14(11-9-13)17-12-15-6-4-5-7-16(15)18(20-17)19(2)3;2-1(3,4)8(5,6)7/h4-12H,1-3H3;(H,5,6,7)/q+1;/p-1