3-imidazol-1-ylpropyl-[(2S)-octan-2-yl]azanium

Systemtic Name: 3-imidazol-1-ylpropyl-[(2S)-octan-2-yl]azanium Openeye Name: 3-imidazol-1-ylpropyl-[(1S)-1-methylheptyl]ammonium CAS Name: 3-(1-imidazolyl)propyl-[(2S)-octan-2-yl]ammonium IUPAC Name: 3-imidazol-1-ylpropyl-[(2S)-octan-2-yl]azanium Traditional Name: 3-imidazol-1-ylpropyl-[(1S)-1-methylheptyl]ammonium Formula: C14H28N3+ MolecularWeight: 238.39222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)[NH2+]CCCN1C=CN=C1

Isomeric SMILES

CCCCCC[C@H](C)[NH2+]CCCN1C=CN=C1

InChI

InChI=1S/C14H27N3/c1-3-4-5-6-8-14(2)16-9-7-11-17-12-10-15-13-17/h10,12-14,16H,3-9,11H2,1-2H3/p+1/t14-/m0/s1