5-oxidanylidene-6-[2-(4-phenyl-1-pyridin-4-yl-piperidin-1-ium-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid

Systemtic Name: 5-oxidanylidene-6-[2-(4-phenyl-1-pyridin-4-yl-piperidin-1-ium-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid Openeye Name: 1-oxo-2-[2-[4-phenyl-1-(4-pyridyl)piperidin-1-ium-1-yl]ethyl]tetralin-6-carboxylic acid CAS Name: 5-oxo-6-[2-(4-phenyl-1-pyridin-4-yl-1-piperidin-1-iumyl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid IUPAC Name: 5-oxo-6-[2-(4-phenyl-1-pyridin-4-ylpiperidin-1-ium-1-yl)ethyl]-7,8-dihydro-6H-naphthalene-2-carboxylic acid Traditional Name: 1-keto-2-[2-[4-phenyl-1-(4-pyridyl)piperidin-1-ium-1-yl]ethyl]tetralin-6-carboxylic acid Formula: C29H31N2O3+ MolecularWeight: 455.56804

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)C(=O)O)C(=O)C1CC[N+]3(CCC(CC3)C4=CC=CC=C4)C5=CC=NC=C5

Isomeric SMILES

C1CC2=C(C=CC(=C2)C(=O)O)C(=O)C1CC[N+]3(CCC(CC3)C4=CC=CC=C4)C5=CC=NC=C5

InChI

InChI=1S/C29H30N2O3/c32-28-23(6-7-24-20-25(29(33)34)8-9-27(24)28)14-19-31(26-10-15-30-16-11-26)17-12-22(13-18-31)21-4-2-1-3-5-21/h1-5,8-11,15-16,20,22-23H,6-7,12-14,17-19H2/p+1