cyclooctyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium

Systemtic Name: cyclooctyl-[[3-methoxy-4-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]azanium Openeye Name: cyclooctyl-[[4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: cyclooctyl-[[4-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: cyclooctyl-[[4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: cyclooctyl-[4-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-3-methoxy-benzyl]ammonium Formula: C24H42N2O4+2 MolecularWeight: 422.60128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C2CCCCCCC2)OCC(C[NH+]3CCC(CC3)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C2CCCCCCC2)OC[C@@H](C[NH+]3CCC(CC3)O)O

InChI

InChI=1S/C24H40N2O4/c1-29-24-15-19(16-25-20-7-5-3-2-4-6-8-20)9-10-23(24)30-18-22(28)17-26-13-11-21(27)12-14-26/h9-10,15,20-22,25,27-28H,2-8,11-14,16-18H2,1H3/p+2/t22-/m1/s1