1-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxo-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[[(1R)-1,2-diphenylethyl]amino]-2-keto-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C28H32N3O3+ MolecularWeight: 458.57198

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC(=O)NC(CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC(=O)N[C@H](CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H31N3O3/c32-26-14-8-7-13-24(26)30-28(34)23-15-17-31(18-16-23)20-27(33)29-25(22-11-5-2-6-12-22)19-21-9-3-1-4-10-21/h1-14,23,25,32H,15-20H2,(H,29,33)(H,30,34)/p+1/t25-/m1/s1