2-[(9-azanyl-5-bromanyl-acridin-10-ium-4-yl)carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(9-azanyl-5-bromanyl-acridin-10-ium-4-yl)carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[(9-amino-5-bromo-acridin-10-ium-4-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(9-amino-5-bromo-4-acridin-10-iumyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(9-amino-5-bromoacridin-10-ium-4-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(9-amino-5-bromo-acridin-10-ium-4-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C18H21BrN4O+2 MolecularWeight: 389.28954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC=CC2=C1[NH+]=C3C(=C2N)C=CC=C3Br

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC=CC2=C1[NH+]=C3C(=C2N)C=CC=C3Br

InChI

InChI=1S/C18H19BrN4O/c1-23(2)10-9-21-18(24)13-7-3-5-11-15(20)12-6-4-8-14(19)17(12)22-16(11)13/h3-8H,9-10H2,1-2H3,(H2,20,22)(H,21,24)/p+2