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

Systemtic Name: (Z)-2-phenyl-3-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Openeye Name: (Z)-2-phenyl-3-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate CAS Name: (Z)-2-phenyl-3-[4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2-propenoate IUPAC Name: (Z)-2-phenyl-3-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Traditional Name: (Z)-2-phenyl-3-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]acrylate Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=CC=C(C=C2)C=C(C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCOC2=CC=C(C=C2)/C=C(/C3=CC=CC=C3)\C(=O)[O-]

InChI

InChI=1S/C21H23NO3/c23-21(24)20(18-6-2-1-3-7-18)16-17-8-10-19(11-9-17)25-15-14-22-12-4-5-13-22/h1-3,6-11,16H,4-5,12-15H2,(H,23,24)/b20-16-