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

Systemtic Name: N-methyl-1-[(3-phenoxyphenyl)methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-N-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-methyl-1-[(3-phenoxyphenyl)methyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-N-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-N-methyl-1-(3-phenoxybenzyl)piperidin-1-ium-4-carboxamide Formula: C27H31N2O2+ MolecularWeight: 415.54724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O2/c1-28(20-22-9-4-2-5-10-22)27(30)24-15-17-29(18-16-24)21-23-11-8-14-26(19-23)31-25-12-6-3-7-13-25/h2-14,19,24H,15-18,20-21H2,1H3/p+1