2-azaniumylethyl-[(3-methylphenyl)methyl]-propyl-azanium

Systemtic Name: 2-azaniumylethyl-[(3-methylphenyl)methyl]-propyl-azanium Openeye Name: 2-azaniumylethyl-(m-tolylmethyl)-propyl-ammonium CAS Name: 2-ammonioethyl-[(3-methylphenyl)methyl]-propylammonium IUPAC Name: 2-azaniumylethyl-[(3-methylphenyl)methyl]-propylazanium Traditional Name: 2-ammonioethyl-(3-methylbenzyl)-propyl-ammonium Formula: C13H24N2+2 MolecularWeight: 208.34306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC[NH3+])CC1=CC=CC(=C1)C

Isomeric SMILES

CCC[NH+](CC[NH3+])CC1=CC=CC(=C1)C

InChI

InChI=1S/C13H22N2/c1-3-8-15(9-7-14)11-13-6-4-5-12(2)10-13/h4-6,10H,3,7-9,11,14H2,1-2H3/p+2