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

Systemtic Name: 4-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]-5-chloranyl-2-methoxy-phenol Openeye Name: 4-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]-5-chloro-2-methoxy-phenol CAS Name: 4-[[(3S)-3-(1,3-benzodioxol-5-ylamino)-1-piperidin-1-iumyl]methyl]-5-chloro-2-methoxyphenol IUPAC Name: 4-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]-5-chloro-2-methoxyphenol Traditional Name: 4-[[(3S)-3-(1,3-benzodioxol-5-ylamino)piperidin-1-ium-1-yl]methyl]-5-chloro-2-methoxy-phenol Formula: C20H24ClN2O4+ MolecularWeight: 391.86856

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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)OCO4)Cl)O

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH+]2CCC[C@@H](C2)NC3=CC4=C(C=C3)OCO4)Cl)O

InChI

InChI=1S/C20H23ClN2O4/c1-25-19-7-13(16(21)9-17(19)24)10-23-6-2-3-15(11-23)22-14-4-5-18-20(8-14)27-12-26-18/h4-5,7-9,15,22,24H,2-3,6,10-12H2,1H3/p+1/t15-/m0/s1