[2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-4-yl]methylazanium

Systemtic Name: [2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-4-yl]methylazanium Openeye Name: [2-(4-methyl-1,4-diazepan-4-ium-1-yl)-4-pyridyl]methylammonium CAS Name: [2-(4-methyl-1,4-diazepan-4-ium-1-yl)-4-pyridinyl]methylammonium IUPAC Name: [2-(4-methyl-1,4-diazepan-4-ium-1-yl)pyridin-4-yl]methylazanium Traditional Name: [2-(4-methyl-1,4-diazepan-4-ium-1-yl)-4-pyridyl]methylammonium Formula: C12H22N4+2 MolecularWeight: 222.32988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=NC=CC(=C2)C[NH3+]

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=NC=CC(=C2)C[NH3+]

InChI

InChI=1S/C12H20N4/c1-15-5-2-6-16(8-7-15)12-9-11(10-13)3-4-14-12/h3-4,9H,2,5-8,10,13H2,1H3/p+2