phenethyl(3-piperidin-1-ium-1-ylpropyl)azanium

Systemtic Name: phenethyl(3-piperidin-1-ium-1-ylpropyl)azanium Openeye Name: phenethyl(3-piperidin-1-ium-1-ylpropyl)ammonium CAS Name: phenethyl-[3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: phenethyl(3-piperidin-1-ium-1-ylpropyl)azanium Traditional Name: phenethyl(3-piperidin-1-ium-1-ylpropyl)ammonium Formula: C16H28N2+2 MolecularWeight: 248.40692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCC[NH2+]CCC2=CC=CC=C2

Isomeric SMILES

C1CC[NH+](CC1)CCC[NH2+]CCC2=CC=CC=C2

InChI

InChI=1S/C16H26N2/c1-3-8-16(9-4-1)10-12-17-11-7-15-18-13-5-2-6-14-18/h1,3-4,8-9,17H,2,5-7,10-15H2/p+2