[(3S,4S)-3-(3-methyl-4-propan-2-yl-phenoxy)heptan-4-yl]azanium

Systemtic Name: [(3S,4S)-3-(3-methyl-4-propan-2-yl-phenoxy)heptan-4-yl]azanium Openeye Name: [(1S,2S)-2-(4-isopropyl-3-methyl-phenoxy)-1-propyl-butyl]ammonium CAS Name: [(3S,4S)-3-(3-methyl-4-propan-2-ylphenoxy)heptan-4-yl]ammonium IUPAC Name: [(3S,4S)-3-(3-methyl-4-propan-2-ylphenoxy)heptan-4-yl]azanium Traditional Name: [(1S,2S)-2-(4-isopropyl-3-methyl-phenoxy)-1-propyl-butyl]ammonium Formula: C17H30NO+ MolecularWeight: 264.4262

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC)OC1=CC(=C(C=C1)C(C)C)C)[NH3+]

Isomeric SMILES

CCC[C@@H]([C@H](CC)OC1=CC(=C(C=C1)C(C)C)C)[NH3+]

InChI

InChI=1S/C17H29NO/c1-6-8-16(18)17(7-2)19-14-9-10-15(12(3)4)13(5)11-14/h9-12,16-17H,6-8,18H2,1-5H3/p+1/t16-,17-/m0/s1