[(1S)-3-(3-tert-butylphenoxy)-1-cyclopentyl-propyl]azanium

Systemtic Name: [(1S)-3-(3-tert-butylphenoxy)-1-cyclopentyl-propyl]azanium Openeye Name: [(1S)-3-(3-tert-butylphenoxy)-1-cyclopentyl-propyl]ammonium CAS Name: [(1S)-3-(3-tert-butylphenoxy)-1-cyclopentylpropyl]ammonium IUPAC Name: [(1S)-3-(3-tert-butylphenoxy)-1-cyclopentylpropyl]azanium Traditional Name: [(1S)-3-(3-tert-butylphenoxy)-1-cyclopentyl-propyl]ammonium Formula: C18H30NO+ MolecularWeight: 276.4369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=C1)OCCC(C2CCCC2)[NH3+]

Isomeric SMILES

CC(C)(C)C1=CC(=CC=C1)OCC[C@@H](C2CCCC2)[NH3+]

InChI

InChI=1S/C18H29NO/c1-18(2,3)15-9-6-10-16(13-15)20-12-11-17(19)14-7-4-5-8-14/h6,9-10,13-14,17H,4-5,7-8,11-12,19H2,1-3H3/p+1/t17-/m0/s1