5-chloranyl-4-[[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-ium-1-yl]methyl]-2-methoxy-phenol

Systemtic Name: 5-chloranyl-4-[[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-ium-1-yl]methyl]-2-methoxy-phenol Openeye Name: 5-chloro-4-[[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-ium-1-yl]methyl]-2-methoxy-phenol CAS Name: 5-chloro-4-[[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-piperidin-1-iumyl]methyl]-2-methoxyphenol IUPAC Name: 5-chloro-4-[[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-ium-1-yl]methyl]-2-methoxyphenol Traditional Name: 5-chloro-4-[[(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)piperidin-1-ium-1-yl]methyl]-2-methoxy-phenol Formula: C21H26ClN2O4+ MolecularWeight: 405.89514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH+]2CCCC(C2)NC3=CC4=C(C=C3)OCCO4)Cl)O

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH+]2CCC[C@@H](C2)NC3=CC4=C(C=C3)OCCO4)Cl)O

InChI

InChI=1S/C21H25ClN2O4/c1-26-20-9-14(17(22)11-18(20)25)12-24-6-2-3-16(13-24)23-15-4-5-19-21(10-15)28-8-7-27-19/h4-5,9-11,16,23,25H,2-3,6-8,12-13H2,1H3/p+1/t16-/m0/s1