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

Systemtic Name: [(2R)-3-[2-methoxy-4-[[(1-methylpiperidin-1-ium-4-yl)methylazaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-propan-2-yl-azanium Openeye Name: [(2R)-2-hydroxy-3-[2-methoxy-4-[[(1-methylpiperidin-1-ium-4-yl)methylammonio]methyl]phenoxy]propyl]-isopropyl-methyl-ammonium CAS Name: [(2R)-2-hydroxy-3-[2-methoxy-4-[[(1-methyl-4-piperidin-1-iumyl)methylammonio]methyl]phenoxy]propyl]-methyl-propan-2-ylammonium IUPAC Name: [(2R)-2-hydroxy-3-[2-methoxy-4-[[(1-methylpiperidin-1-ium-4-yl)methylazaniumyl]methyl]phenoxy]propyl]-methyl-propan-2-ylazanium Traditional Name: [(2R)-2-hydroxy-3-[2-methoxy-4-[[(1-methylpiperidin-1-ium-4-yl)methylammonio]methyl]phenoxy]propyl]-isopropyl-methyl-ammonium Formula: C22H42N3O3+3 MolecularWeight: 396.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](C)CC(COC1=C(C=C(C=C1)C[NH2+]CC2CC[NH+](CC2)C)OC)O

Isomeric SMILES

CC(C)[NH+](C)C[C@H](COC1=C(C=C(C=C1)C[NH2+]CC2CC[NH+](CC2)C)OC)O

InChI

InChI=1S/C22H39N3O3/c1-17(2)25(4)15-20(26)16-28-21-7-6-19(12-22(21)27-5)14-23-13-18-8-10-24(3)11-9-18/h6-7,12,17-18,20,23,26H,8-11,13-16H2,1-5H3/p+3/t20-/m1/s1