2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)naphthalen-1-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: 2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)naphthalen-1-yl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)-1-naphthyl]thiazole-4-carboxylate CAS Name: 2-[2-[2-(1-pyrrolidin-1-iumyl)ethoxy]-1-naphthalenyl]-4-thiazolecarboxylate IUPAC Name: 2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)naphthalen-1-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)-1-naphthyl]thiazole-4-carboxylate Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c23-20(24)16-13-26-19(21-16)18-15-6-2-1-5-14(15)7-8-17(18)25-12-11-22-9-3-4-10-22/h1-2,5-8,13H,3-4,9-12H2,(H,23,24)