4-methyl-2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)naphthalen-1-yl]-1,3-thiazole-5-carboxylate

Systemtic Name: 4-methyl-2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)naphthalen-1-yl]-1,3-thiazole-5-carboxylate Openeye Name: 4-methyl-2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)-1-naphthyl]thiazole-5-carboxylate CAS Name: 4-methyl-2-[2-[2-(1-pyrrolidin-1-iumyl)ethoxy]-1-naphthalenyl]-5-thiazolecarboxylate IUPAC Name: 4-methyl-2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)naphthalen-1-yl]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[2-(2-pyrrolidin-1-ium-1-ylethoxy)-1-naphthyl]thiazole-5-carboxylate Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=C(C=CC3=CC=CC=C32)OCC[NH+]4CCCC4)C(=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C2=C(C=CC3=CC=CC=C32)OCC[NH+]4CCCC4)C(=O)[O-]

InChI

InChI=1S/C21H22N2O3S/c1-14-19(21(24)25)27-20(22-14)18-16-7-3-2-6-15(16)8-9-17(18)26-13-12-23-10-4-5-11-23/h2-3,6-9H,4-5,10-13H2,1H3,(H,24,25)