[(2R)-2-oxidanyl-3-[4-(3-oxidanylidenebutyl)phenoxy]propyl]-pentan-3-yl-azanium

Systemtic Name: [(2R)-2-oxidanyl-3-[4-(3-oxidanylidenebutyl)phenoxy]propyl]-pentan-3-yl-azanium Openeye Name: 1-ethylpropyl-[(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]ammonium CAS Name: [(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-pentan-3-ylammonium IUPAC Name: [(2R)-2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]-pentan-3-ylazanium Traditional Name: 1-ethylpropyl-[(2R)-2-hydroxy-3-[4-(3-ketobutyl)phenoxy]propyl]ammonium Formula: C18H30NO3+ MolecularWeight: 308.4357

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29NO3/c1-4-16(5-2)19-12-17(21)13-22-18-10-8-15(9-11-18)7-6-14(3)20/h8-11,16-17,19,21H,4-7,12-13H2,1-3H3/p+1/t17-/m1/s1