1-azanylethyl-(9-azanyl-5-methyl-acridin-4-yl)carbonyl-ethyl-[(4-morpholin-4-yl-5-nitro-5H-1,3-thiazol-4-yl)methyl]azanium chloride

Systemtic Name: 1-azanylethyl-(9-azanyl-5-methyl-acridin-4-yl)carbonyl-ethyl-[(4-morpholin-4-yl-5-nitro-5H-1,3-thiazol-4-yl)methyl]azanium chloride Openeye Name: 1-aminoethyl-(9-amino-5-methyl-acridine-4-carbonyl)-ethyl-[(4-morpholino-5-nitro-5H-thiazol-4-yl)methyl]ammonium chloride CAS Name: 1-aminoethyl-[(9-amino-5-methyl-4-acridinyl)-oxomethyl]-ethyl-[[4-(4-morpholinyl)-5-nitro-5H-thiazol-4-yl]methyl]ammonium chloride IUPAC Name: 1-aminoethyl-(9-amino-5-methylacridine-4-carbonyl)-ethyl-[(4-morpholin-4-yl-5-nitro-5H-1,3-thiazol-4-yl)methyl]azanium chloride Traditional Name: 1-aminoethyl-(9-amino-5-methyl-acridine-4-carbonyl)-ethyl-[(4-morpholino-5-nitro-2-thiazolin-4-yl)methyl]ammonium chloride Formula: C27H34ClN7O4S MolecularWeight: 588.12136

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC1(C(SC=N1)[N+](=O)[O-])N2CCOCC2)(C(C)N)C(=O)C3=CC=CC4=C3N=C5C(=CC=CC5=C4N)C.[Cl-]

Isomeric SMILES

CC[N+](CC1(C(SC=N1)[N+](=O)[O-])N2CCOCC2)(C(C)N)C(=O)C3=CC=CC4=C3N=C5C(=CC=CC5=C4N)C.[Cl-]

InChI

InChI=1S/C27H33N7O4S.ClH/c1-4-34(18(3)28,15-27(32-11-13-38-14-12-32)26(33(36)37)39-16-30-27)25(35)21-10-6-9-20-22(29)19-8-5-7-17(2)23(19)31-24(20)21;/h5-10,16,18,26H,4,11-15,28H2,1-3H3,(H-,29,31,35);1H