dimethyl-[2-[(phenylmethyl)-[(2-prop-2-enoxyphenyl)methyl]azaniumyl]ethyl]azanium

Systemtic Name: dimethyl-[2-[(phenylmethyl)-[(2-prop-2-enoxyphenyl)methyl]azaniumyl]ethyl]azanium Openeye Name: (2-allyloxyphenyl)methyl-benzyl-[2-(dimethylammonio)ethyl]ammonium CAS Name: dimethyl-[2-[(phenylmethyl)-[(2-prop-2-enoxyphenyl)methyl]ammonio]ethyl]ammonium IUPAC Name: benzyl-[2-(dimethylazaniumyl)ethyl]-[(2-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (2-allyloxybenzyl)-benzyl-[2-(dimethylammonio)ethyl]ammonium Formula: C21H30N2O+2 MolecularWeight: 326.4757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH+](CC1=CC=CC=C1)CC2=CC=CC=C2OCC=C

Isomeric SMILES

C[NH+](C)CC[NH+](CC1=CC=CC=C1)CC2=CC=CC=C2OCC=C

InChI

InChI=1S/C21H28N2O/c1-4-16-24-21-13-9-8-12-20(21)18-23(15-14-22(2)3)17-19-10-6-5-7-11-19/h4-13H,1,14-18H2,2-3H3/p+2