1-oxidanidyl-6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]pyridin-1-ium-3-carboxylic acid

Systemtic Name: 1-oxidanidyl-6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]pyridin-1-ium-3-carboxylic acid Openeye Name: 1-oxido-6-[(1,1,4,4-tetramethyltetralin-6-yl)carbamoyl]pyridin-1-ium-3-carboxylic acid CAS Name: 1-oxido-6-[oxo-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]methyl]-3-pyridin-1-iumcarboxylic acid IUPAC Name: 1-oxido-6-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]pyridin-1-ium-3-carboxylic acid Traditional Name: 1-oxido-6-[(1,1,4,4-tetramethyltetralin-6-yl)carbamoyl]pyridin-1-ium-3-carboxylic acid Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(C2=C1C=CC(=C2)NC(=O)C3=[N+](C=C(C=C3)C(=O)O)[O-])(C)C)C

Isomeric SMILES

CC1(CCC(C2=C1C=CC(=C2)NC(=O)C3=[N+](C=C(C=C3)C(=O)O)[O-])(C)C)C

InChI

InChI=1S/C21H24N2O4/c1-20(2)9-10-21(3,4)16-11-14(6-7-15(16)20)22-18(24)17-8-5-13(19(25)26)12-23(17)27/h5-8,11-12H,9-10H2,1-4H3,(H,22,24)(H,25,26)