1-[(4-ethylphenyl)methyl]-1,4,4-trimethyl-1,4-diazepane-1,4-diium

Systemtic Name: 1-[(4-ethylphenyl)methyl]-1,4,4-trimethyl-1,4-diazepane-1,4-diium Openeye Name: 1-[(4-ethylphenyl)methyl]-1,4,4-trimethyl-1,4-diazepane-1,4-diium CAS Name: 1-[(4-ethylphenyl)methyl]-1,4,4-trimethyl-1,4-diazepane-1,4-diium IUPAC Name: 1-[(4-ethylphenyl)methyl]-1,4,4-trimethyl-1,4-diazepane-1,4-diium Traditional Name: 1-(4-ethylbenzyl)-1,4,4-trimethyl-1,4-diazepane-1,4-diium Formula: C17H30N2+2 MolecularWeight: 262.4335

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[N+]2(CCC[N+](CC2)(C)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C[N+]2(CCC[N+](CC2)(C)C)C

InChI

InChI=1S/C17H30N2/c1-5-16-7-9-17(10-8-16)15-19(4)12-6-11-18(2,3)13-14-19/h7-10H,5-6,11-15H2,1-4H3/q+2