cyclohexyl-[(2R)-3-[2-methoxy-4-[(2-phenoxyethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: cyclohexyl-[(2R)-3-[2-methoxy-4-[(2-phenoxyethylazaniumyl)methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(2-phenoxyethylammonio)methyl]phenoxy]propyl]-methyl-ammonium CAS Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(2-phenoxyethylammonio)methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(2-phenoxyethylazaniumyl)methyl]phenoxy]propyl]-methylazanium Traditional Name: cyclohexyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(2-phenoxyethylammonio)methyl]phenoxy]propyl]-methyl-ammonium Formula: C26H40N2O4+2 MolecularWeight: 444.6068

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=C(C=C(C=C1)C[NH2+]CCOC2=CC=CC=C2)OC)O)C3CCCCC3

Isomeric SMILES

C[NH+](C[C@H](COC1=C(C=C(C=C1)C[NH2+]CCOC2=CC=CC=C2)OC)O)C3CCCCC3

InChI

InChI=1S/C26H38N2O4/c1-28(22-9-5-3-6-10-22)19-23(29)20-32-25-14-13-21(17-26(25)30-2)18-27-15-16-31-24-11-7-4-8-12-24/h4,7-8,11-14,17,22-23,27,29H,3,5-6,9-10,15-16,18-20H2,1-2H3/p+2/t23-/m1/s1