1-[(2-hydroxyphenyl)methyl]-N-phenethyl-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2-hydroxyphenyl)methyl]-N-phenethyl-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(2-hydroxyphenyl)methyl]-N-phenethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-hydroxyphenyl)methyl]-N-phenethyl-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(2-hydroxyphenyl)methyl]-N-phenethylpiperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-N-phenethyl-1-salicyl-piperidin-1-ium-4-carboxamide Formula: C28H33N2O2+ MolecularWeight: 429.57382

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4O

Isomeric SMILES

C1C[NH+](CCC1C(=O)N(CCC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4O

InChI

InChI=1S/C28H32N2O2/c31-27-14-8-7-13-26(27)22-29-18-16-25(17-19-29)28(32)30(21-24-11-5-2-6-12-24)20-15-23-9-3-1-4-10-23/h1-14,25,31H,15-22H2/p+1