N-ethyl-1-[(3-phenoxyphenyl)methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-ethyl-1-[(3-phenoxyphenyl)methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-N-ethyl-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-ethyl-1-[(3-phenoxyphenyl)methyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-N-ethyl-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-N-ethyl-1-(3-phenoxybenzyl)piperidin-1-ium-4-carboxamide Formula: C28H33N2O2+ MolecularWeight: 429.57382

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C28H32N2O2/c1-2-30(22-23-10-5-3-6-11-23)28(31)25-16-18-29(19-17-25)21-24-12-9-15-27(20-24)32-26-13-7-4-8-14-26/h3-15,20,25H,2,16-19,21-22H2,1H3/p+1