N-[(1S)-1-[1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-cyclopropyl-pyridine-2-carboxamide

Systemtic Name: N-[(1S)-1-[1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-cyclopropyl-pyridine-2-carboxamide Openeye Name: N-[(1S)-1-[1-[(5-chloro-2-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-cyclopropyl-pyridine-2-carboxamide CAS Name: N-[(1S)-1-[1-[(5-chloro-2-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-2-phenylethyl]-N-cyclopropyl-2-pyridinecarboxamide IUPAC Name: N-[(1S)-1-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-2-phenylethyl]-N-cyclopropylpyridine-2-carboxamide Traditional Name: N-[(1S)-1-[1-(5-chloro-2-hydroxy-benzyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-cyclopropyl-picolinamide Formula: C29H33ClN3O2+ MolecularWeight: 491.04422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(C(CC2=CC=CC=C2)C3CC[NH+](CC3)CC4=C(C=CC(=C4)Cl)O)C(=O)C5=CC=CC=N5

Isomeric SMILES

C1CC1N([C@@H](CC2=CC=CC=C2)C3CC[NH+](CC3)CC4=C(C=CC(=C4)Cl)O)C(=O)C5=CC=CC=N5

InChI

InChI=1S/C29H32ClN3O2/c30-24-9-12-28(34)23(19-24)20-32-16-13-22(14-17-32)27(18-21-6-2-1-3-7-21)33(25-10-11-25)29(35)26-8-4-5-15-31-26/h1-9,12,15,19,22,25,27,34H,10-11,13-14,16-18,20H2/p+1/t27-/m0/s1