N-[1-[(2S)-3-[4-(cyanomethyl)phenoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: N-[1-[(2S)-3-[4-(cyanomethyl)phenoxy]-2-oxidanyl-propyl]piperidin-1-ium-4-yl]benzamide Openeye Name: N-[1-[(2S)-3-[4-(cyanomethyl)phenoxy]-2-hydroxy-propyl]piperidin-1-ium-4-yl]benzamide CAS Name: N-[1-[(2S)-3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: N-[1-[(2S)-3-[4-(cyanomethyl)phenoxy]-2-hydroxypropyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[(2S)-3-[4-(cyanomethyl)phenoxy]-2-hydroxy-propyl]piperidin-1-ium-4-yl]benzamide Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC=CC=C2)CC(COC3=CC=C(C=C3)CC#N)O

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3/c24-13-10-18-6-8-22(9-7-18)29-17-21(27)16-26-14-11-20(12-15-26)25-23(28)19-4-2-1-3-5-19/h1-9,20-21,27H,10-12,14-17H2,(H,25,28)/p+1/t21-/m0/s1