1-[(2S)-2-(4-chlorophenyl)-2-oxidanyl-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-2-(4-chlorophenyl)-2-oxidanyl-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(2S)-2-(4-chlorophenyl)-2-hydroxy-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[(2S)-2-(4-chlorophenyl)-2-hydroxy-ethyl]piperidin-1-ium-4-carboxamide Formula: C21H26ClN2O2+ MolecularWeight: 373.89634

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)CC(C3=CC=C(C=C3)Cl)O

Isomeric SMILES

C1C[NH+](CCC1C(=O)NCC2=CC=CC=C2)C[C@H](C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C21H25ClN2O2/c22-19-8-6-17(7-9-19)20(25)15-24-12-10-18(11-13-24)21(26)23-14-16-4-2-1-3-5-16/h1-9,18,20,25H,10-15H2,(H,23,26)/p+1/t20-/m1/s1