(Z)-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)naphthalen-1-yl]-2-thiophen-2-yl-prop-2-enoate

Systemtic Name: (Z)-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)naphthalen-1-yl]-2-thiophen-2-yl-prop-2-enoate Openeye Name: (Z)-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)-1-naphthyl]-2-(2-thienyl)prop-2-enoate CAS Name: (Z)-3-[2-[2-(1-pyrrolidin-1-iumyl)ethoxy]-1-naphthalenyl]-2-thiophen-2-yl-2-propenoate IUPAC Name: (Z)-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)naphthalen-1-yl]-2-thiophen-2-ylprop-2-enoate Traditional Name: (Z)-3-[2-(2-pyrrolidin-1-ium-1-ylethoxy)-1-naphthyl]-2-(2-thienyl)acrylate Formula: C23H23NO3S MolecularWeight: 393.49862

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=C(C3=CC=CC=C3C=C2)C=C(C4=CC=CS4)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCOC2=C(C3=CC=CC=C3C=C2)/C=C(\C4=CC=CS4)/C(=O)[O-]

InChI

InChI=1S/C23H23NO3S/c25-23(26)20(22-8-5-15-28-22)16-19-18-7-2-1-6-17(18)9-10-21(19)27-14-13-24-11-3-4-12-24/h1-2,5-10,15-16H,3-4,11-14H2,(H,25,26)/b20-16+