cyclohexyl-[[5-methoxy-2-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]-methyl-azanium

Systemtic Name: cyclohexyl-[[5-methoxy-2-[(2R)-2-oxidanyl-3-(4-oxidanylpiperidin-1-ium-1-yl)propoxy]phenyl]methyl]-methyl-azanium Openeye Name: cyclohexyl-[[2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-phenyl]methyl]-methyl-ammonium CAS Name: cyclohexyl-[[2-[(2R)-2-hydroxy-3-(4-hydroxy-1-piperidin-1-iumyl)propoxy]-5-methoxyphenyl]methyl]-methylammonium IUPAC Name: cyclohexyl-[[2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxyphenyl]methyl]-methylazanium Traditional Name: cyclohexyl-[2-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-ium-1-yl)propoxy]-5-methoxy-benzyl]-methyl-ammonium Formula: C23H40N2O4+2 MolecularWeight: 408.5747

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)OC)OCC(C[NH+]2CCC(CC2)O)O)C3CCCCC3

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)OC)OC[C@@H](C[NH+]2CCC(CC2)O)O)C3CCCCC3

InChI

InChI=1S/C23H38N2O4/c1-24(19-6-4-3-5-7-19)15-18-14-22(28-2)8-9-23(18)29-17-21(27)16-25-12-10-20(26)11-13-25/h8-9,14,19-21,26-27H,3-7,10-13,15-17H2,1-2H3/p+2/t21-/m1/s1