N-[1-[(2R)-2-oxidanyl-3-(4-phenoxyphenoxy)propyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: N-[1-[(2R)-2-oxidanyl-3-(4-phenoxyphenoxy)propyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[(2R)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[(2R)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[(2R)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[(2R)-2-hydroxy-3-(4-phenoxyphenoxy)propyl]piperidin-1-ium-4-yl]benzamide Formula: C27H31N2O4+ MolecularWeight: 447.54604

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2)CC(COC3=CC=C(C=C3)OC4=CC=CC=C4)O

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2)C[C@H](COC3=CC=C(C=C3)OC4=CC=CC=C4)O

InChI

InChI=1S/C27H30N2O4/c30-23(20-32-24-11-13-26(14-12-24)33-25-9-5-2-6-10-25)19-29-17-15-22(16-18-29)28-27(31)21-7-3-1-4-8-21/h1-14,22-23,30H,15-20H2,(H,28,31)/p+1/t23-/m1/s1