2-butoxyethanoyl-(5,6-diphenylpyrazin-2-yl)-(propan-2-ylamino)-pyrrolidin-1-ylsulfonyl-azanium

Systemtic Name: 2-butoxyethanoyl-(5,6-diphenylpyrazin-2-yl)-(propan-2-ylamino)-pyrrolidin-1-ylsulfonyl-azanium Openeye Name: (2-butoxyacetyl)-(5,6-diphenylpyrazin-2-yl)-(isopropylamino)-pyrrolidin-1-ylsulfonyl-ammonium CAS Name: (2-butoxy-1-oxoethyl)-(5,6-diphenyl-2-pyrazinyl)-(propan-2-ylamino)-(1-pyrrolidinylsulfonyl)ammonium IUPAC Name: (2-butoxyacetyl)-(5,6-diphenylpyrazin-2-yl)-(propan-2-ylamino)-pyrrolidin-1-ylsulfonylazanium Traditional Name: (2-butoxyacetyl)-(5,6-diphenylpyrazin-2-yl)-(isopropylamino)-pyrrolidinosulfonyl-ammonium Formula: C29H38N5O4S+ MolecularWeight: 552.70812

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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)N4CCCC4

Isomeric SMILES

CCCCOCC(=O)[N+](C1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3)(NC(C)C)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C29H38N5O4S/c1-4-5-20-38-22-27(35)34(32-23(2)3,39(36,37)33-18-12-13-19-33)26-21-30-28(24-14-8-6-9-15-24)29(31-26)25-16-10-7-11-17-25/h6-11,14-17,21,23,32H,4-5,12-13,18-20,22H2,1-3H3/q+1