(Z)-3-[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-prop-2-enoate

Systemtic Name: (Z)-3-[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-prop-2-enoate Openeye Name: (Z)-3-[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-prop-2-enoate CAS Name: (Z)-3-[3-ethoxy-4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-2-phenyl-2-propenoate IUPAC Name: (Z)-3-[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-phenylprop-2-enoate Traditional Name: (Z)-3-[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]-2-phenyl-acrylate Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C2=CC=CC=C2)C(=O)[O-])OCC[NH+]3CCCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(/C2=CC=CC=C2)\C(=O)[O-])OCC[NH+]3CCCCC3

InChI

InChI=1S/C24H29NO4/c1-2-28-23-18-19(17-21(24(26)27)20-9-5-3-6-10-20)11-12-22(23)29-16-15-25-13-7-4-8-14-25/h3,5-6,9-12,17-18H,2,4,7-8,13-16H2,1H3,(H,26,27)/b21-17-