(E)-3-[2-chloranyl-6-(4-propylpiperazin-4-ium-1-yl)phenyl]prop-2-enoate

Systemtic Name: (E)-3-[2-chloranyl-6-(4-propylpiperazin-4-ium-1-yl)phenyl]prop-2-enoate Openeye Name: (E)-3-[2-chloro-6-(4-propylpiperazin-4-ium-1-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[2-chloro-6-(4-propyl-1-piperazin-4-iumyl)phenyl]-2-propenoate IUPAC Name: (E)-3-[2-chloro-6-(4-propylpiperazin-4-ium-1-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[2-chloro-6-(4-propylpiperazin-4-ium-1-yl)phenyl]acrylate Formula: C16H21ClN2O2 MolecularWeight: 308.80314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN2O2/c1-2-8-18-9-11-19(12-10-18)15-5-3-4-14(17)13(15)6-7-16(20)21/h3-7H,2,8-12H2,1H3,(H,20,21)/b7-6+