(E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-morpholinosulfonylphenyl)-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-[4-(4-morpholinylsulfonyl)phenyl]-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-1-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-3-(4-morpholinosulfonylphenyl)prop-2-en-1-one Formula: C23H33N4O5S+ MolecularWeight: 477.59692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C=CC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H32N4O5S/c28-22(26-13-11-24(12-14-26)19-23(29)25-9-1-2-10-25)8-5-20-3-6-21(7-4-20)33(30,31)27-15-17-32-18-16-27/h3-8H,1-2,9-19H2/p+1/b8-5+