(E)-3-[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]furan-2-yl]prop-2-enoate

Systemtic Name: (E)-3-[5-[4-(phenylmethyl)piperazin-4-ium-1-yl]furan-2-yl]prop-2-enoate Openeye Name: (E)-3-[5-(4-benzylpiperazin-4-ium-1-yl)-2-furyl]prop-2-enoate CAS Name: (E)-3-[5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-furanyl]-2-propenoate IUPAC Name: (E)-3-[5-(4-benzylpiperazin-4-ium-1-yl)furan-2-yl]prop-2-enoate Traditional Name: (E)-3-[5-(4-benzylpiperazin-4-ium-1-yl)-2-furyl]acrylate Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(O3)C=CC(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(O3)/C=C/C(=O)[O-]

InChI

InChI=1S/C18H20N2O3/c21-18(22)9-7-16-6-8-17(23-16)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,21,22)/b9-7+