[(3S,4S)-3-(3-methylphenoxy)heptan-4-yl]azanium

Systemtic Name: [(3S,4S)-3-(3-methylphenoxy)heptan-4-yl]azanium Openeye Name: [(1S,2S)-2-(3-methylphenoxy)-1-propyl-butyl]ammonium CAS Name: [(3S,4S)-3-(3-methylphenoxy)heptan-4-yl]ammonium IUPAC Name: [(3S,4S)-3-(3-methylphenoxy)heptan-4-yl]azanium Traditional Name: [(1S,2S)-2-(3-methylphenoxy)-1-propyl-butyl]ammonium Formula: C14H24NO+ MolecularWeight: 222.34646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23NO/c1-4-7-13(15)14(5-2)16-12-9-6-8-11(3)10-12/h6,8-10,13-14H,4-5,7,15H2,1-3H3/p+1/t13-,14-/m0/s1