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

Systemtic Name: 1-[4-[(2S)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]-2-oxidanyl-propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[(2S)-2-hydroxy-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propoxy]phenyl]propan-1-one CAS Name: 1-[4-[(2S)-2-hydroxy-3-[(2S)-2-methyl-1-piperidin-1-iumyl]propoxy]phenyl]-1-propanone IUPAC Name: 1-[4-[(2S)-2-hydroxy-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propoxy]phenyl]propan-1-one Traditional Name: 1-[4-[(2S)-2-hydroxy-3-[(2S)-2-methylpiperidin-1-ium-1-yl]propoxy]phenyl]propan-1-one Formula: C18H28NO3+ MolecularWeight: 306.41982

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(C[NH+]2CCCCC2C)O

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO3/c1-3-18(21)15-7-9-17(10-8-15)22-13-16(20)12-19-11-5-4-6-14(19)2/h7-10,14,16,20H,3-6,11-13H2,1-2H3/p+1/t14-,16-/m0/s1