cyclohexyl-[(2R)-3-[2-methoxy-4-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: cyclohexyl-[(2R)-3-[2-methoxy-4-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(4-methoxycarbonyl-1-piperidin-1-iumyl)methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]-methylazanium Traditional Name: [(2R)-3-[4-[(4-carbomethoxypiperidin-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-cyclohexyl-methyl-ammonium Formula: C25H42N2O5+2 MolecularWeight: 450.61138

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)OC)OC)O)C3CCCCC3

Isomeric SMILES

C[NH+](C[C@H](COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)OC)OC)O)C3CCCCC3

InChI

InChI=1S/C25H40N2O5/c1-26(21-7-5-4-6-8-21)17-22(28)18-32-23-10-9-19(15-24(23)30-2)16-27-13-11-20(12-14-27)25(29)31-3/h9-10,15,20-22,28H,4-8,11-14,16-18H2,1-3H3/p+2/t22-/m1/s1