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

Systemtic Name: 1-[4-[(2S)-2-oxidanyl-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[(2S)-3-(4-benzylpiperidin-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]propan-1-one CAS Name: 1-[4-[(2S)-2-hydroxy-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]propoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[(2S)-3-(4-benzylpiperidin-1-ium-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one Traditional Name: 1-[4-[(2S)-3-(4-benzylpiperidin-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]propan-1-one Formula: C24H32NO3+ MolecularWeight: 382.51578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO3/c1-2-24(27)21-8-10-23(11-9-21)28-18-22(26)17-25-14-12-20(13-15-25)16-19-6-4-3-5-7-19/h3-11,20,22,26H,2,12-18H2,1H3/p+1/t22-/m0/s1