[(2R)-3-(3-methoxycarbonylphenoxy)-2-oxidanyl-propyl]-[(2S)-5-methylhexan-2-yl]azanium

Systemtic Name: [(2R)-3-(3-methoxycarbonylphenoxy)-2-oxidanyl-propyl]-[(2S)-5-methylhexan-2-yl]azanium Openeye Name: [(1S)-1,4-dimethylpentyl]-[(2R)-2-hydroxy-3-(3-methoxycarbonylphenoxy)propyl]ammonium CAS Name: [(2R)-2-hydroxy-3-(3-methoxycarbonylphenoxy)propyl]-[(2S)-5-methylhexan-2-yl]ammonium IUPAC Name: [(2R)-2-hydroxy-3-(3-methoxycarbonylphenoxy)propyl]-[(2S)-5-methylhexan-2-yl]azanium Traditional Name: [(2R)-3-(3-carbomethoxyphenoxy)-2-hydroxy-propyl]-[(1S)-1,4-dimethylpentyl]ammonium Formula: C18H30NO4+ MolecularWeight: 324.4351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO4/c1-13(2)8-9-14(3)19-11-16(20)12-23-17-7-5-6-15(10-17)18(21)22-4/h5-7,10,13-14,16,19-20H,8-9,11-12H2,1-4H3/p+1/t14-,16+/m0/s1