[4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]-phenyl-methanone

Systemtic Name: [4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]-phenyl-methanone Openeye Name: [4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]-phenyl-methanone CAS Name: [4-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]phenyl]-phenylmethanone IUPAC Name: [4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]phenyl]-phenylmethanone Traditional Name: [4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]phenyl]-phenyl-methanone Formula: C21H26NO3+ MolecularWeight: 340.43604

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C21H25NO3/c23-19(15-22-13-5-2-6-14-22)16-25-20-11-9-18(10-12-20)21(24)17-7-3-1-4-8-17/h1,3-4,7-12,19,23H,2,5-6,13-16H2/p+1/t19-/m0/s1