1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-N-ethyl-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-N-ethyl-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(5-chloro-2-hydroxy-phenyl)methyl]-N-ethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(5-chloro-2-hydroxyphenyl)methyl]-N-ethyl-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(5-chloro-2-hydroxyphenyl)methyl]-N-ethylpiperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-(5-chloro-2-hydroxy-benzyl)-N-ethyl-piperidin-1-ium-4-carboxamide Formula: C22H28ClN2O2+ MolecularWeight: 387.92292

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Cl)O

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C22H27ClN2O2/c1-2-25(15-17-6-4-3-5-7-17)22(27)18-10-12-24(13-11-18)16-19-14-20(23)8-9-21(19)26/h3-9,14,18,26H,2,10-13,15-16H2,1H3/p+1