(2S)-1-piperidin-1-ium-1-yl-3-[4-[(1R,4R,5S)-2,2,6-trimethyl-3-oxabicyclo[3.3.1]non-6-en-4-yl]phenoxy]propan-2-ol

Systemtic Name: (2S)-1-piperidin-1-ium-1-yl-3-[4-[(1R,4R,5S)-2,2,6-trimethyl-3-oxabicyclo[3.3.1]non-6-en-4-yl]phenoxy]propan-2-ol Openeye Name: (2S)-1-piperidin-1-ium-1-yl-3-[4-[(1R,4R,5S)-2,2,6-trimethyl-3-oxabicyclo[3.3.1]non-6-en-4-yl]phenoxy]propan-2-ol CAS Name: (2S)-1-(1-piperidin-1-iumyl)-3-[4-[(1R,4R,5S)-2,2,6-trimethyl-3-oxabicyclo[3.3.1]non-6-en-4-yl]phenoxy]-2-propanol IUPAC Name: (2S)-1-piperidin-1-ium-1-yl-3-[4-[(1R,4R,5S)-2,2,6-trimethyl-3-oxabicyclo[3.3.1]non-6-en-4-yl]phenoxy]propan-2-ol Traditional Name: (2S)-1-piperidin-1-ium-1-yl-3-[4-[(1R,4R,5S)-2,2,6-trimethyl-3-oxabicyclo[3.3.1]non-6-en-4-yl]phenoxy]propan-2-ol Formula: C25H38NO3+ MolecularWeight: 400.57412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2CC1C(OC2(C)C)C3=CC=C(C=C3)OCC(C[NH+]4CCCCC4)O

Isomeric SMILES

CC1=CC[C@@H]2C[C@@H]1[C@@H](OC2(C)C)C3=CC=C(C=C3)OC[C@H](C[NH+]4CCCCC4)O

InChI

InChI=1S/C25H37NO3/c1-18-7-10-20-15-23(18)24(29-25(20,2)3)19-8-11-22(12-9-19)28-17-21(27)16-26-13-5-4-6-14-26/h7-9,11-12,20-21,23-24,27H,4-6,10,13-17H2,1-3H3/p+1/t20-,21+,23+,24+/m1/s1