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

Systemtic Name: 1-[(4-bromophenyl)methyl]-N-ethyl-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(4-bromophenyl)methyl]-N-ethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-bromophenyl)methyl]-N-ethyl-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(4-bromophenyl)methyl]-N-ethylpiperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-(4-bromobenzyl)-N-ethyl-piperidin-1-ium-4-carboxamide Formula: C22H28BrN2O+ MolecularWeight: 416.37452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN2O/c1-2-25(17-18-6-4-3-5-7-18)22(26)20-12-14-24(15-13-20)16-19-8-10-21(23)11-9-19/h3-11,20H,2,12-17H2,1H3/p+1