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

Systemtic Name: N-[(1S)-1-[1-[(2-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-cyclopropyl-pyridine-2-carboxamide Openeye Name: N-[(1S)-1-[1-[(2-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-cyclopropyl-pyridine-2-carboxamide CAS Name: N-[(1S)-1-[1-[(2-chlorophenyl)methyl]-4-piperidin-1-iumyl]-2-phenylethyl]-N-cyclopropyl-2-pyridinecarboxamide IUPAC Name: N-[(1S)-1-[1-[(2-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-phenylethyl]-N-cyclopropylpyridine-2-carboxamide Traditional Name: N-[(1S)-1-[1-(2-chlorobenzyl)piperidin-1-ium-4-yl]-2-phenyl-ethyl]-N-cyclopropyl-picolinamide Formula: C29H33ClN3O+ MolecularWeight: 475.04482

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(C(CC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC=CC=C4Cl)C(=O)C5=CC=CC=N5

Isomeric SMILES

C1CC1N([C@@H](CC2=CC=CC=C2)C3CC[NH+](CC3)CC4=CC=CC=C4Cl)C(=O)C5=CC=CC=N5

InChI

InChI=1S/C29H32ClN3O/c30-26-11-5-4-10-24(26)21-32-18-15-23(16-19-32)28(20-22-8-2-1-3-9-22)33(25-13-14-25)29(34)27-12-6-7-17-31-27/h1-12,17,23,25,28H,13-16,18-21H2/p+1/t28-/m0/s1