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

Systemtic Name: (E)-3-(4-imidazol-1-ylphenyl)-1-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-imidazol-1-ylphenyl)-1-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-[4-(1-imidazolyl)phenyl]-1-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(4-imidazol-1-ylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-imidazol-1-ylphenyl)-1-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C22H28N5O3+ MolecularWeight: 410.48942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C=CC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)/C=C/C3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C22H27N5O3/c28-21(6-3-19-1-4-20(5-2-19)27-8-7-23-18-27)25-11-9-24(10-12-25)17-22(29)26-13-15-30-16-14-26/h1-8,18H,9-17H2/p+1/b6-3+