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

Systemtic Name: 2-butoxyethanoyl-(5,6-diphenylpyrazin-2-yl)-methylsulfonyl-(propan-2-ylamino)azanium Openeye Name: (2-butoxyacetyl)-(5,6-diphenylpyrazin-2-yl)-(isopropylamino)-methylsulfonyl-ammonium CAS Name: (2-butoxy-1-oxoethyl)-(5,6-diphenyl-2-pyrazinyl)-methylsulfonyl-(propan-2-ylamino)ammonium IUPAC Name: (2-butoxyacetyl)-(5,6-diphenylpyrazin-2-yl)-methylsulfonyl-(propan-2-ylamino)azanium Traditional Name: (2-butoxyacetyl)-(5,6-diphenylpyrazin-2-yl)-(isopropylamino)-mesyl-ammonium Formula: C26H33N4O4S+ MolecularWeight: 497.62962

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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

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

InChI

InChI=1S/C26H33N4O4S/c1-5-6-17-34-19-24(31)30(29-20(2)3,35(4,32)33)23-18-27-25(21-13-9-7-10-14-21)26(28-23)22-15-11-8-12-16-22/h7-16,18,20,29H,5-6,17,19H2,1-4H3/q+1