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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=C(C3=CC=CC=C3C=C2)C4=NC(=CS4)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=C(C3=CC=CC=C3C=C2)C4=NC(=CS4)C(=O)[O-]

InChI

InChI=1S/C21H22N2O3S/c24-21(25)17-14-27-20(22-17)19-16-7-3-2-6-15(16)8-9-18(19)26-13-12-23-10-4-1-5-11-23/h2-3,6-9,14H,1,4-5,10-13H2,(H,24,25)