cyclohexyl-[(2R)-3-[2-methoxy-4-[[(2-oxidanyl-2-prop-2-enyl-pent-4-enyl)azaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium

Systemtic Name: cyclohexyl-[(2R)-3-[2-methoxy-4-[[(2-oxidanyl-2-prop-2-enyl-pent-4-enyl)azaniumyl]methyl]phenoxy]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2R)-3-[4-[[(2-allyl-2-hydroxy-pent-4-enyl)ammonio]methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-cyclohexyl-methyl-ammonium CAS Name: cyclohexyl-[(2R)-2-hydroxy-3-[4-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)ammonio]methyl]-2-methoxyphenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2R)-2-hydroxy-3-[4-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)azaniumyl]methyl]-2-methoxyphenoxy]propyl]-methylazanium Traditional Name: [(2R)-3-[4-[[(2-allyl-2-hydroxy-pent-4-enyl)ammonio]methyl]-2-methoxy-phenoxy]-2-hydroxy-propyl]-cyclohexyl-methyl-ammonium Formula: C26H44N2O4+2 MolecularWeight: 448.63856

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(COC1=C(C=C(C=C1)C[NH2+]CC(CC=C)(CC=C)O)OC)O)C2CCCCC2

Isomeric SMILES

C[NH+](C[C@H](COC1=C(C=C(C=C1)C[NH2+]CC(CC=C)(CC=C)O)OC)O)C2CCCCC2

InChI

InChI=1S/C26H42N2O4/c1-5-14-26(30,15-6-2)20-27-17-21-12-13-24(25(16-21)31-4)32-19-23(29)18-28(3)22-10-8-7-9-11-22/h5-6,12-13,16,22-23,27,29-30H,1-2,7-11,14-15,17-20H2,3-4H3/p+2/t23-/m1/s1