8-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamoyl]naphthalene-1-carboxylate

Systemtic Name: 8-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamoyl]naphthalene-1-carboxylate Openeye Name: 8-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamoyl]naphthalene-1-carboxylate CAS Name: 8-[oxo-[(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)amino]methyl]-1-naphthalenecarboxylate IUPAC Name: 8-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamoyl]naphthalene-1-carboxylate Traditional Name: 8-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)carbamoyl]-1-naphthoate Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC=CC3=C2C(=CC=C3)C(=O)[O-])C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)NC(=O)C2=CC=CC3=C2C(=CC=C3)C(=O)[O-])C

InChI

InChI=1S/C21H26N2O3/c1-20(2)11-14(12-21(3,4)23-20)22-18(24)15-9-5-7-13-8-6-10-16(17(13)15)19(25)26/h5-10,14,23H,11-12H2,1-4H3,(H,22,24)(H,25,26)