2-azaniumylethyl-[(2S)-butan-2-yl]-(phenylmethyl)azanium

Systemtic Name: 2-azaniumylethyl-[(2S)-butan-2-yl]-(phenylmethyl)azanium Openeye Name: 2-azaniumylethyl-benzyl-[(1S)-1-methylpropyl]ammonium CAS Name: 2-ammonioethyl-[(2S)-butan-2-yl]-(phenylmethyl)ammonium IUPAC Name: 2-azaniumylethyl-benzyl-[(2S)-butan-2-yl]azanium Traditional Name: 2-ammonioethyl-benzyl-[(1S)-1-methylpropyl]ammonium Formula: C13H24N2+2 MolecularWeight: 208.34306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+](CC[NH3+])CC1=CC=CC=C1

Isomeric SMILES

CC[C@H](C)[NH+](CC[NH3+])CC1=CC=CC=C1

InChI

InChI=1S/C13H22N2/c1-3-12(2)15(10-9-14)11-13-7-5-4-6-8-13/h4-8,12H,3,9-11,14H2,1-2H3/p+2/t12-/m0/s1