[azanyl-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]methylidene]azanium

Systemtic Name: [azanyl-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]methylidene]azanium Openeye Name: [amino-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]methylene]ammonium CAS Name: [amino-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]methylidene]ammonium IUPAC Name: [amino-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]methylidene]azanium Traditional Name: [amino-[4-(4-methyl-1,4-diazepan-4-ium-1-yl)phenyl]methylene]ammonium Formula: C13H22N4+2 MolecularWeight: 234.34058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C2=CC=C(C=C2)C(=[NH2+])N

Isomeric SMILES

C[NH+]1CCCN(CC1)C2=CC=C(C=C2)C(=[NH2+])N

InChI

InChI=1S/C13H20N4/c1-16-7-2-8-17(10-9-16)12-5-3-11(4-6-12)13(14)15/h3-6H,2,7-10H2,1H3,(H3,14,15)/p+2