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

Systemtic Name: 2-[(9-azanyl-5-methyl-acridin-4-yl)carbonylamino]ethyl-dimethyl-[(4-methylsulfonylphenyl)methyl]azanium chloride Openeye Name: 2-[(9-amino-5-methyl-acridine-4-carbonyl)amino]ethyl-dimethyl-[(4-methylsulfonylphenyl)methyl]ammonium chloride CAS Name: 2-[[(9-amino-5-methyl-4-acridinyl)-oxomethyl]amino]ethyl-dimethyl-[(4-methylsulfonylphenyl)methyl]ammonium chloride IUPAC Name: 2-[(9-amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(4-methylsulfonylphenyl)methyl]azanium chloride Traditional Name: 2-[(9-amino-5-methyl-acridine-4-carbonyl)amino]ethyl-(4-mesylbenzyl)-dimethyl-ammonium chloride Formula: C27H31ClN4O3S MolecularWeight: 527.07804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C3=C(C(=CC=C3)C(=O)NCC[N+](C)(C)CC4=CC=C(C=C4)S(=O)(=O)C)N=C12)N.[Cl-]

Isomeric SMILES

CC1=CC=CC2=C(C3=C(C(=CC=C3)C(=O)NCC[N+](C)(C)CC4=CC=C(C=C4)S(=O)(=O)C)N=C12)N.[Cl-]

InChI

InChI=1S/C27H30N4O3S.ClH/c1-18-7-5-8-21-24(28)22-9-6-10-23(26(22)30-25(18)21)27(32)29-15-16-31(2,3)17-19-11-13-20(14-12-19)35(4,33)34;/h5-14H,15-17H2,1-4H3,(H2-,28,29,30,32);1H