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

Systemtic Name: 1-[3-methoxy-4-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]phenyl]propan-1-one Openeye Name: 1-[4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-3-methoxy-phenyl]propan-1-one CAS Name: 1-[4-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-3-methoxyphenyl]-1-propanone IUPAC Name: 1-[4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-3-methoxyphenyl]propan-1-one Traditional Name: 1-[4-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-3-methoxy-phenyl]propan-1-one Formula: C18H28NO4+ MolecularWeight: 322.41922

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C=C1)OCC(C[NH+]2CCCCC2)O)OC

Isomeric SMILES

CCC(=O)C1=CC(=C(C=C1)OC[C@H](C[NH+]2CCCCC2)O)OC

InChI

InChI=1S/C18H27NO4/c1-3-16(21)14-7-8-17(18(11-14)22-2)23-13-15(20)12-19-9-5-4-6-10-19/h7-8,11,15,20H,3-6,9-10,12-13H2,1-2H3/p+1/t15-/m0/s1