3-[(9-azanyl-5-methyl-acridin-4-yl)carbonylamino]propyl-dimethyl-(3-nitrothiophen-2-yl)azanium chloride

Systemtic Name: 3-[(9-azanyl-5-methyl-acridin-4-yl)carbonylamino]propyl-dimethyl-(3-nitrothiophen-2-yl)azanium chloride Openeye Name: 3-[(9-amino-5-methyl-acridine-4-carbonyl)amino]propyl-dimethyl-(3-nitro-2-thienyl)ammonium chloride CAS Name: 3-[[(9-amino-5-methyl-4-acridinyl)-oxomethyl]amino]propyl-dimethyl-(3-nitro-2-thiophenyl)ammonium chloride IUPAC Name: 3-[(9-amino-5-methylacridine-4-carbonyl)amino]propyl-dimethyl-(3-nitrothiophen-2-yl)azanium chloride Traditional Name: 3-[(9-amino-5-methyl-acridine-4-carbonyl)amino]propyl-dimethyl-(3-nitro-2-thienyl)ammonium chloride Formula: C24H26ClN5O3S MolecularWeight: 500.01294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C3=C(C(=CC=C3)C(=O)NCCC[N+](C)(C)C4=C(C=CS4)[N+](=O)[O-])N=C12)N.[Cl-]

Isomeric SMILES

CC1=CC=CC2=C(C3=C(C(=CC=C3)C(=O)NCCC[N+](C)(C)C4=C(C=CS4)[N+](=O)[O-])N=C12)N.[Cl-]

InChI

InChI=1S/C24H25N5O3S.ClH/c1-15-7-4-8-16-20(25)17-9-5-10-18(22(17)27-21(15)16)23(30)26-12-6-13-29(2,3)24-19(28(31)32)11-14-33-24;/h4-5,7-11,14H,6,12-13H2,1-3H3,(H2-,25,26,27,30);1H