1-[(3-methylphenyl)methyl]-1,4-diazepan-1-ium

Systemtic Name: 1-[(3-methylphenyl)methyl]-1,4-diazepan-1-ium Openeye Name: 1-(m-tolylmethyl)-1,4-diazepan-1-ium CAS Name: 1-[(3-methylphenyl)methyl]-1,4-diazepan-1-ium IUPAC Name: 1-[(3-methylphenyl)methyl]-1,4-diazepan-1-ium Traditional Name: 1-(3-methylbenzyl)-1,4-diazepan-1-ium Formula: C13H21N2+ MolecularWeight: 205.31924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCCNCC2

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCCNCC2

InChI

InChI=1S/C13H20N2/c1-12-4-2-5-13(10-12)11-15-8-3-6-14-7-9-15/h2,4-5,10,14H,3,6-9,11H2,1H3/p+1