2-[3-[2-[(9-azanyl-5-methyl-acridin-4-yl)carbonylamino]ethyl]-2-nitro-phenyl]propan-2-ylazanium chloride

Systemtic Name: 2-[3-[2-[(9-azanyl-5-methyl-acridin-4-yl)carbonylamino]ethyl]-2-nitro-phenyl]propan-2-ylazanium chloride Openeye Name: [1-[3-[2-[(9-amino-5-methyl-acridine-4-carbonyl)amino]ethyl]-2-nitro-phenyl]-1-methyl-ethyl]ammonium chloride CAS Name: 2-[3-[2-[[(9-amino-5-methyl-4-acridinyl)-oxomethyl]amino]ethyl]-2-nitrophenyl]propan-2-ylammonium chloride IUPAC Name: 2-[3-[2-[(9-amino-5-methylacridine-4-carbonyl)amino]ethyl]-2-nitrophenyl]propan-2-ylazanium chloride Traditional Name: [1-[3-[2-[(9-amino-5-methyl-acridine-4-carbonyl)amino]ethyl]-2-nitro-phenyl]-1-methyl-ethyl]ammonium chloride Formula: C26H28ClN5O3 MolecularWeight: 493.98522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C3=C(C(=CC=C3)C(=O)NCCC4=C(C(=CC=C4)C(C)(C)[NH3+])[N+](=O)[O-])N=C12)N.[Cl-]

Isomeric SMILES

CC1=CC=CC2=C(C3=C(C(=CC=C3)C(=O)NCCC4=C(C(=CC=C4)C(C)(C)[NH3+])[N+](=O)[O-])N=C12)N.[Cl-]

InChI

InChI=1S/C26H27N5O3.ClH/c1-15-7-4-9-17-21(27)18-10-6-11-19(23(18)30-22(15)17)25(32)29-14-13-16-8-5-12-20(26(2,3)28)24(16)31(33)34;/h4-12H,13-14,28H2,1-3H3,(H2,27,30)(H,29,32);1H