(2S)-1-[4-[(2S,6S)-6-methyl-4-methylidene-oxan-2-yl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-[4-[(2S,6S)-6-methyl-4-methylidene-oxan-2-yl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-[4-[(2S,6S)-6-methyl-4-methylene-tetrahydropyran-2-yl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-[4-[(2S,6S)-6-methyl-4-methylene-2-oxanyl]phenoxy]-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-[4-[(2S,6S)-6-methyl-4-methylideneoxan-2-yl]phenoxy]-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-[4-[(2S,6S)-6-methyl-4-methylene-tetrahydropyran-2-yl]phenoxy]-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C21H32NO3+ MolecularWeight: 346.48368

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=C)CC(O1)C2=CC=C(C=C2)OCC(C[NH+]3CCCCC3)O

Isomeric SMILES

C[C@H]1CC(=C)C[C@H](O1)C2=CC=C(C=C2)OC[C@H](C[NH+]3CCCCC3)O

InChI

InChI=1S/C21H31NO3/c1-16-12-17(2)25-21(13-16)18-6-8-20(9-7-18)24-15-19(23)14-22-10-4-3-5-11-22/h6-9,17,19,21,23H,1,3-5,10-15H2,2H3/p+1/t17-,19-,21-/m0/s1