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

Systemtic Name: cyclohexyl-methyl-[(2S)-2-oxidanyl-3-[3-[[(2-oxidanyl-2-prop-2-enyl-pent-4-enyl)azaniumyl]methyl]phenoxy]propyl]azanium Openeye Name: [(2S)-3-[3-[[(2-allyl-2-hydroxy-pent-4-enyl)ammonio]methyl]phenoxy]-2-hydroxy-propyl]-cyclohexyl-methyl-ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)ammonio]methyl]phenoxy]propyl]-methylammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-[3-[[(2-hydroxy-2-prop-2-enylpent-4-enyl)azaniumyl]methyl]phenoxy]propyl]-methylazanium Traditional Name: [(2S)-3-[3-[[(2-allyl-2-hydroxy-pent-4-enyl)ammonio]methyl]phenoxy]-2-hydroxy-propyl]-cyclohexyl-methyl-ammonium Formula: C25H42N2O3+2 MolecularWeight: 418.61258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40N2O3/c1-4-14-25(29,15-5-2)20-26-17-21-10-9-13-24(16-21)30-19-23(28)18-27(3)22-11-7-6-8-12-22/h4-5,9-10,13,16,22-23,26,28-29H,1-2,6-8,11-12,14-15,17-20H2,3H3/p+2/t23-/m0/s1