2-[(7-chloranylquinolin-1-ium-4-yl)amino]ethyl-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methyl]azanium

Systemtic Name: 2-[(7-chloranylquinolin-1-ium-4-yl)amino]ethyl-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)methyl]azanium Openeye Name: 2-[(7-chloroquinolin-1-ium-4-yl)amino]ethyl-[(1,3-dimethyl-2-oxo-benzimidazol-5-yl)methyl]ammonium CAS Name: 2-[(7-chloro-4-quinolin-1-iumyl)amino]ethyl-[(1,3-dimethyl-2-oxo-5-benzimidazolyl)methyl]ammonium IUPAC Name: 2-[(7-chloroquinolin-1-ium-4-yl)amino]ethyl-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methyl]azanium Traditional Name: 2-[(7-chloroquinolin-1-ium-4-yl)amino]ethyl-[(2-keto-1,3-dimethyl-benzimidazol-5-yl)methyl]ammonium Formula: C21H24ClN5O+2 MolecularWeight: 397.90116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C[NH2+]CCNC3=C4C=CC(=CC4=[NH+]C=C3)Cl)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)C[NH2+]CCNC3=C4C=CC(=CC4=[NH+]C=C3)Cl)N(C1=O)C

InChI

InChI=1S/C21H22ClN5O/c1-26-19-6-3-14(11-20(19)27(2)21(26)28)13-23-9-10-25-17-7-8-24-18-12-15(22)4-5-16(17)18/h3-8,11-12,23H,9-10,13H2,1-2H3,(H,24,25)/p+2