2-[(2-chloranyl-5-nitro-phenyl)carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)carbonyl-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(2-chloro-5-nitro-benzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2-chloro-5-nitrophenyl)-oxomethyl]-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(2-chloro-5-nitrobenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2-chloro-5-nitro-benzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C19H20ClN4O3S+ MolecularWeight: 419.9051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H19ClN4O3S/c1-12-4-7-16-17(10-12)28-19(21-16)23(9-8-22(2)3)18(25)14-11-13(24(26)27)5-6-15(14)20/h4-7,10-11H,8-9H2,1-3H3/p+1