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

Systemtic Name: (E)-1-[4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-yl]-3-(4-phenylmethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-benzyloxyphenyl)-1-[4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-1-[4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumyl]-3-(4-phenylmethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-yl]-3-(4-phenylmethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4-benzoxyphenyl)-1-[4-(2-keto-2-morpholino-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C26H32N3O4+ MolecularWeight: 450.54998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)C=CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCOCC2)C(=O)/C=C/C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H31N3O4/c30-25(28-14-12-27(13-15-28)20-26(31)29-16-18-32-19-17-29)11-8-22-6-9-24(10-7-22)33-21-23-4-2-1-3-5-23/h1-11H,12-21H2/p+1/b11-8+