1-[(4-ethylphenyl)methyl]-4-methyl-1,4-diazepan-1-ium

Systemtic Name: 1-[(4-ethylphenyl)methyl]-4-methyl-1,4-diazepan-1-ium Openeye Name: 1-[(4-ethylphenyl)methyl]-4-methyl-1,4-diazepan-1-ium CAS Name: 1-[(4-ethylphenyl)methyl]-4-methyl-1,4-diazepan-1-ium IUPAC Name: 1-[(4-ethylphenyl)methyl]-4-methyl-1,4-diazepan-1-ium Traditional Name: 1-(4-ethylbenzyl)-4-methyl-1,4-diazepan-1-ium Formula: C15H25N2+ MolecularWeight: 233.3724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCCN(CC2)C

InChI

InChI=1S/C15H24N2/c1-3-14-5-7-15(8-6-14)13-17-10-4-9-16(2)11-12-17/h5-8H,3-4,9-13H2,1-2H3/p+1