butyl-bis[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: butyl-bis[(2S)-3-(3-methylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: butyl-bis[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]ammonium CAS Name: butyl-bis[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]ammonium IUPAC Name: butyl-bis[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]azanium Traditional Name: butyl-bis[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]ammonium Formula: C24H36NO4+ MolecularWeight: 402.54694

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC(COC1=CC=CC(=C1)C)O)CC(COC2=CC=CC(=C2)C)O

Isomeric SMILES

CCCC[NH+](C[C@@H](COC1=CC=CC(=C1)C)O)C[C@@H](COC2=CC=CC(=C2)C)O

InChI

InChI=1S/C24H35NO4/c1-4-5-12-25(15-21(26)17-28-23-10-6-8-19(2)13-23)16-22(27)18-29-24-11-7-9-20(3)14-24/h6-11,13-14,21-22,26-27H,4-5,12,15-18H2,1-3H3/p+1/t21-,22-/m0/s1