1-methyl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1,4-diium

Systemtic Name: 1-methyl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1,4-diium Openeye Name: 1-methyl-4-(3-pyridylmethyl)-1,4-diazepane-1,4-diium CAS Name: 1-methyl-4-(3-pyridinylmethyl)-1,4-diazepane-1,4-diium IUPAC Name: 1-methyl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1,4-diium Traditional Name: 1-methyl-4-(3-pyridylmethyl)-1,4-diazepane-1,4-diium Formula: C12H21N3+2 MolecularWeight: 207.31524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)CC2=CN=CC=C2

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CC2=CN=CC=C2

InChI

InChI=1S/C12H19N3/c1-14-6-3-7-15(9-8-14)11-12-4-2-5-13-10-12/h2,4-5,10H,3,6-9,11H2,1H3/p+2