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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC(C[NH+]2CCC(CC2)O)O)C[NH2+]CC3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCC(CC2)O)O)C[NH2+]CC3CCCCC3

InChI

InChI=1S/C23H38N2O4/c1-28-22-7-8-23(19(13-22)15-24-14-18-5-3-2-4-6-18)29-17-21(27)16-25-11-9-20(26)10-12-25/h7-8,13,18,20-21,24,26-27H,2-6,9-12,14-17H2,1H3/p+2/t21-/m1/s1