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

Systemtic Name: 2-[(9-azanyl-5-methyl-acridin-4-yl)carbonylamino]ethyl-ethyl-[(2-nitrophenyl)methyl]azanium chloride Openeye Name: 2-[(9-amino-5-methyl-acridine-4-carbonyl)amino]ethyl-ethyl-[(2-nitrophenyl)methyl]ammonium chloride CAS Name: 2-[[(9-amino-5-methyl-4-acridinyl)-oxomethyl]amino]ethyl-ethyl-[(2-nitrophenyl)methyl]ammonium chloride IUPAC Name: 2-[(9-amino-5-methylacridine-4-carbonyl)amino]ethyl-ethyl-[(2-nitrophenyl)methyl]azanium chloride Traditional Name: 2-[(9-amino-5-methyl-acridine-4-carbonyl)amino]ethyl-ethyl-(2-nitrobenzyl)ammonium chloride Formula: C26H28ClN5O3 MolecularWeight: 493.98522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCNC(=O)C1=CC=CC2=C1N=C3C(=CC=CC3=C2N)C)CC4=CC=CC=C4[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC[NH+](CCNC(=O)C1=CC=CC2=C1N=C3C(=CC=CC3=C2N)C)CC4=CC=CC=C4[N+](=O)[O-].[Cl-]

InChI

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