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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C3=C(C(=CC=C3)C(=O)NCC[N+](C)(C)CC4=C(C=CS4)[N+](=O)[O-])N=C12)N.[Cl-]

Isomeric SMILES

CC1=CC=CC2=C(C3=C(C(=CC=C3)C(=O)NCC[N+](C)(C)CC4=C(C=CS4)[N+](=O)[O-])N=C12)N.[Cl-]

InChI

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