[(2R)-3-[2-methoxy-5-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium

Systemtic Name: [(2R)-3-[2-methoxy-5-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium Openeye Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]-isopropyl-methyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[(4-methoxycarbonyl-1-piperidin-1-iumyl)methyl]phenoxy]propyl]-methyl-propan-2-ylammonium IUPAC Name: [(2R)-2-hydroxy-3-[2-methoxy-5-[(4-methoxycarbonylpiperidin-1-ium-1-yl)methyl]phenoxy]propyl]-methyl-propan-2-ylazanium Traditional Name: [(2R)-3-[5-[(4-carbomethoxypiperidin-1-ium-1-yl)methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-isopropyl-methyl-ammonium Formula: C22H38N2O5+2 MolecularWeight: 410.54752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N2O5/c1-16(2)23(3)14-19(25)15-29-21-12-17(6-7-20(21)27-4)13-24-10-8-18(9-11-24)22(26)28-5/h6-7,12,16,18-19,25H,8-11,13-15H2,1-5H3/p+2/t19-/m1/s1