(2S)-1-[2-methoxy-4-[(1R)-1-oxidanylpropyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-[2-methoxy-4-[(1R)-1-oxidanylpropyl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-[4-[(1R)-1-hydroxypropyl]-2-methoxy-phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-[4-[(1R)-1-hydroxypropyl]-2-methoxyphenoxy]-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-[4-[(1R)-1-hydroxypropyl]-2-methoxyphenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-[4-[(1R)-1-hydroxypropyl]-2-methoxy-phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C18H30NO4+ MolecularWeight: 324.4351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO4/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/h7-8,11,15-16,20-21H,3-6,9-10,12-13H2,1-2H3/p+1/t15-,16+/m0/s1