heptan-4-yl-[(2R)-2-phenylpropyl]azanium

Systemtic Name: heptan-4-yl-[(2R)-2-phenylpropyl]azanium Openeye Name: [(2R)-2-phenylpropyl]-(1-propylbutyl)ammonium CAS Name: heptan-4-yl-[(2R)-2-phenylpropyl]ammonium IUPAC Name: heptan-4-yl-[(2R)-2-phenylpropyl]azanium Traditional Name: [(2R)-2-phenylpropyl]-(1-propylbutyl)ammonium Formula: C16H28N+ MolecularWeight: 234.40022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)[NH2+]CC(C)C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C16H27N/c1-4-9-16(10-5-2)17-13-14(3)15-11-7-6-8-12-15/h6-8,11-12,14,16-17H,4-5,9-10,13H2,1-3H3/p+1/t14-/m0/s1