(E)-3-[2-(4-propylpiperazin-4-ium-1-yl)phenyl]prop-2-enoate

Systemtic Name: (E)-3-[2-(4-propylpiperazin-4-ium-1-yl)phenyl]prop-2-enoate Openeye Name: (E)-3-[2-(4-propylpiperazin-4-ium-1-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[2-(4-propyl-1-piperazin-4-iumyl)phenyl]-2-propenoate IUPAC Name: (E)-3-[2-(4-propylpiperazin-4-ium-1-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[2-(4-propylpiperazin-4-ium-1-yl)phenyl]acrylate Formula: C16H22N2O2 MolecularWeight: 274.35808

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C2=CC=CC=C2C=CC(=O)[O-]

Isomeric SMILES

CCC[NH+]1CCN(CC1)C2=CC=CC=C2/C=C/C(=O)[O-]

InChI

InChI=1S/C16H22N2O2/c1-2-9-17-10-12-18(13-11-17)15-6-4-3-5-14(15)7-8-16(19)20/h3-8H,2,9-13H2,1H3,(H,19,20)/b8-7+