(1Z)-1-(4-cyclopropyl-1-methyl-pyrrol-1-ium-3-ylidene)-N,N-dimethyl-1-phenyl-methanamine; tris(fluoranyl)methanesulfonate

Systemtic Name: (1Z)-1-(4-cyclopropyl-1-methyl-pyrrol-1-ium-3-ylidene)-N,N-dimethyl-1-phenyl-methanamine; tris(fluoranyl)methanesulfonate Openeye Name: (1Z)-1-(4-cyclopropyl-1-methyl-pyrrol-1-ium-3-ylidene)-N,N-dimethyl-1-phenyl-methanamine; trifluoromethanesulfonate CAS Name: (1Z)-1-(4-cyclopropyl-1-methyl-3-pyrrol-1-iumylidene)-N,N-dimethyl-1-phenylmethanamine; trifluoromethanesulfonate IUPAC Name: (1Z)-1-(4-cyclopropyl-1-methylpyrrol-1-ium-3-ylidene)-N,N-dimethyl-1-phenylmethanamine; trifluoromethanesulfonate Traditional Name: [(Z)-(4-cyclopropyl-1-methyl-pyrrol-1-ium-3-ylidene)-phenyl-methyl]-dimethyl-amine triflate Formula: C18H21F3N2O3S MolecularWeight: 402.43115

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=C(C2=CC=CC=C2)N(C)C)C(=C1)C3CC3.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C/C(=C(/C2=CC=CC=C2)\N(C)C)/C(=C1)C3CC3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C17H21N2.CHF3O3S/c1-18(2)17(14-7-5-4-6-8-14)16-12-19(3)11-15(16)13-9-10-13;2-1(3,4)8(5,6)7/h4-8,11-13H,9-10H2,1-3H3;(H,5,6,7)/q+1;/p-1