1-[(4-bromophenyl)methyl]-N-(2-hydroxyethyl)-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-(2-hydroxyethyl)-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(4-bromophenyl)methyl]-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-(2-hydroxyethyl)-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(4-bromophenyl)methyl]-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-(4-bromobenzyl)-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide Formula: C22H28BrN2O2+ MolecularWeight: 432.37392

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N(CCO)CC2=CC=CC=C2)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1C[NH+](CCC1C(=O)N(CCO)CC2=CC=CC=C2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H27BrN2O2/c23-21-8-6-19(7-9-21)16-24-12-10-20(11-13-24)22(27)25(14-15-26)17-18-4-2-1-3-5-18/h1-9,20,26H,10-17H2/p+1