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

Systemtic Name: 1-[2-[(2S)-2-oxidanyl-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propoxy]phenyl]ethanone Openeye Name: 1-[2-[(2S)-3-(4-benzylpiperidin-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]ethanone CAS Name: 1-[2-[(2S)-2-hydroxy-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]propoxy]phenyl]ethanone IUPAC Name: 1-[2-[(2S)-3-(4-benzylpiperidin-1-ium-1-yl)-2-hydroxypropoxy]phenyl]ethanone Traditional Name: 1-[2-[(2S)-3-(4-benzylpiperidin-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]ethanone Formula: C23H30NO3+ MolecularWeight: 368.4892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1OCC(C[NH+]2CCC(CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CC(=O)C1=CC=CC=C1OC[C@H](C[NH+]2CCC(CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C23H29NO3/c1-18(25)22-9-5-6-10-23(22)27-17-21(26)16-24-13-11-20(12-14-24)15-19-7-3-2-4-8-19/h2-10,20-21,26H,11-17H2,1H3/p+1/t21-/m0/s1