2-butoxyethanoyl-(5,6-diphenylpyrazin-2-yl)-(propan-2-ylamino)-(trifluoromethylsulfonyl)azanium

Systemtic Name: 2-butoxyethanoyl-(5,6-diphenylpyrazin-2-yl)-(propan-2-ylamino)-(trifluoromethylsulfonyl)azanium Openeye Name: (2-butoxyacetyl)-(5,6-diphenylpyrazin-2-yl)-(isopropylamino)-(trifluoromethylsulfonyl)ammonium CAS Name: (2-butoxy-1-oxoethyl)-(5,6-diphenyl-2-pyrazinyl)-(propan-2-ylamino)-(trifluoromethylsulfonyl)ammonium IUPAC Name: (2-butoxyacetyl)-(5,6-diphenylpyrazin-2-yl)-(propan-2-ylamino)-(trifluoromethylsulfonyl)azanium Traditional Name: (2-butoxyacetyl)-(5,6-diphenylpyrazin-2-yl)-(isopropylamino)-triflyl-ammonium Formula: C26H30F3N4O4S+ MolecularWeight: 551.60101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC(=O)[N+](C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)(NC(C)C)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCOCC(=O)[N+](C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)(NC(C)C)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C26H30F3N4O4S/c1-4-5-16-37-18-23(34)33(32-19(2)3,38(35,36)26(27,28)29)22-17-30-24(20-12-8-6-9-13-20)25(31-22)21-14-10-7-11-15-21/h6-15,17,19,32H,4-5,16,18H2,1-3H3/q+1