(2S)-1-(2-methoxy-4-prop-2-enyl-phenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-(2-methoxy-4-prop-2-enyl-phenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(4-allyl-2-methoxy-phenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(4-allyl-2-methoxy-phenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C18H28NO3+ MolecularWeight: 306.41982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCC(C[NH+]2CCCCC2)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OC[C@H](C[NH+]2CCCCC2)O

InChI

InChI=1S/C18H27NO3/c1-3-7-15-8-9-17(18(12-15)21-2)22-14-16(20)13-19-10-5-4-6-11-19/h3,8-9,12,16,20H,1,4-7,10-11,13-14H2,2H3/p+1/t16-/m0/s1