[2-(4-methyl-1,4-diazepan-4-ium-1-yl)quinolin-3-yl]methylazanium

Systemtic Name: [2-(4-methyl-1,4-diazepan-4-ium-1-yl)quinolin-3-yl]methylazanium Openeye Name: [2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-quinolyl]methylammonium CAS Name: [2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-quinolinyl]methylammonium IUPAC Name: [2-(4-methyl-1,4-diazepan-4-ium-1-yl)quinolin-3-yl]methylazanium Traditional Name: [2-(4-methyl-1,4-diazepan-4-ium-1-yl)-3-quinolyl]methylammonium Formula: C16H24N4+2 MolecularWeight: 272.38856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=NC3=CC=CC=C3C=C2C[NH3+]

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=NC3=CC=CC=C3C=C2C[NH3+]

InChI

InChI=1S/C16H22N4/c1-19-7-4-8-20(10-9-19)16-14(12-17)11-13-5-2-3-6-15(13)18-16/h2-3,5-6,11H,4,7-10,12,17H2,1H3/p+2