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

Systemtic Name: (E)-N-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[3-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-3-keto-propyl]-3-phenyl-acrylamide Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O3/c29-24(9-7-20-4-2-1-3-5-20)26-12-10-25(30)28-15-13-27(14-16-28)19-21-6-8-23-22(18-21)11-17-31-23/h1-9,18H,10-17,19H2,(H,26,29)/p+1/b9-7+