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

Systemtic Name: 2-[(9-azanyl-5-methyl-acridin-4-yl)carbonylamino]ethyl-dimethyl-[(2-nitrophenyl)methyl]azanium chloride Openeye Name: 2-[(9-amino-5-methyl-acridine-4-carbonyl)amino]ethyl-dimethyl-[(2-nitrophenyl)methyl]ammonium chloride CAS Name: 2-[[(9-amino-5-methyl-4-acridinyl)-oxomethyl]amino]ethyl-dimethyl-[(2-nitrophenyl)methyl]ammonium chloride IUPAC Name: 2-[(9-amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(2-nitrophenyl)methyl]azanium chloride Traditional Name: 2-[(9-amino-5-methyl-acridine-4-carbonyl)amino]ethyl-dimethyl-(2-nitrobenzyl)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)NCC[N+](C)(C)CC4=CC=CC=C4[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=CC=CC=C4[N+](=O)[O-])N=C12)N.[Cl-]

InChI

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