2-[2-[3-(dimethylazaniumyl)propoxy]naphthalen-1-yl]-4-ethyl-1,3-thiazole-5-carboxylate

Systemtic Name: 2-[2-[3-(dimethylazaniumyl)propoxy]naphthalen-1-yl]-4-ethyl-1,3-thiazole-5-carboxylate Openeye Name: 2-[2-[3-(dimethylammonio)propoxy]-1-naphthyl]-4-ethyl-thiazole-5-carboxylate CAS Name: 2-[2-[3-(dimethylammonio)propoxy]-1-naphthalenyl]-4-ethyl-5-thiazolecarboxylate IUPAC Name: 2-[2-[3-(dimethylazaniumyl)propoxy]naphthalen-1-yl]-4-ethyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-[3-(dimethylammonio)propoxy]-1-naphthyl]-4-ethyl-thiazole-5-carboxylate Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)C2=C(C=CC3=CC=CC=C32)OCCC[NH+](C)C)C(=O)[O-]

Isomeric SMILES

CCC1=C(SC(=N1)C2=C(C=CC3=CC=CC=C32)OCCC[NH+](C)C)C(=O)[O-]

InChI

InChI=1S/C21H24N2O3S/c1-4-16-19(21(24)25)27-20(22-16)18-15-9-6-5-8-14(15)10-11-17(18)26-13-7-12-23(2)3/h5-6,8-11H,4,7,12-13H2,1-3H3,(H,24,25)