trimethyl-[3-[[(E)-octadec-1-enyl]amino]-2-(trimethylazaniumyl)azetidin-2-yl]azanium

Systemtic Name: trimethyl-[3-[[(E)-octadec-1-enyl]amino]-2-(trimethylazaniumyl)azetidin-2-yl]azanium Openeye Name: trimethyl-[3-[[(E)-octadec-1-enyl]amino]-2-(trimethylammonio)azetidin-2-yl]ammonium CAS Name: trimethyl-[3-[[(E)-octadec-1-enyl]amino]-2-(trimethylammonio)-2-azetidinyl]ammonium IUPAC Name: trimethyl-[3-[[(E)-octadec-1-enyl]amino]-2-(trimethylazaniumyl)azetidin-2-yl]azanium Traditional Name: trimethyl-[3-[[(E)-octadec-1-enyl]amino]-2-(trimethylammonio)azetidin-2-yl]ammonium Formula: C27H58N4+2 MolecularWeight: 438.77622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=CNC1CNC1([N+](C)(C)C)[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C/NC1CNC1([N+](C)(C)C)[N+](C)(C)C

InChI

InChI=1S/C27H58N4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-26-25-29-27(26,30(2,3)4)31(5,6)7/h23-24,26,28-29H,8-22,25H2,1-7H3/q+2/b24-23+