(E)-N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[2-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-3-phenyl-acrylamide Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CNC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)CNC(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O3/c28-23(9-7-19-4-2-1-3-5-19)25-17-24(29)27-13-11-26(12-14-27)18-20-6-8-22-21(16-20)10-15-30-22/h1-9,16H,10-15,17-18H2,(H,25,28)/p+1/b9-7+