2-(2-piperidin-1-ium-1-ylethoxy)naphthalene-1-carboxylate

Systemtic Name: 2-(2-piperidin-1-ium-1-ylethoxy)naphthalene-1-carboxylate Openeye Name: 2-(2-piperidin-1-ium-1-ylethoxy)naphthalene-1-carboxylate CAS Name: 2-[2-(1-piperidin-1-iumyl)ethoxy]-1-naphthalenecarboxylate IUPAC Name: 2-(2-piperidin-1-ium-1-ylethoxy)naphthalene-1-carboxylate Traditional Name: 2-(2-piperidin-1-ium-1-ylethoxy)-1-naphthoate Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO3/c20-18(21)17-15-7-3-2-6-14(15)8-9-16(17)22-13-12-19-10-4-1-5-11-19/h2-3,6-9H,1,4-5,10-13H2,(H,20,21)