2-[(5-chloranyl-2-nitro-phenyl)carbonyl-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5-chloranyl-2-nitro-phenyl)carbonyl-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5-chloro-2-nitro-benzoyl)-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(5-chloro-2-nitrophenyl)-oxomethyl]-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(5-chloro-2-nitrobenzoyl)-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethylazanium Traditional Name: 2-[(5-chloro-2-nitro-benzoyl)-(4-ethoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C20H22ClN4O4S+ MolecularWeight: 449.93108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O4S/c1-4-29-16-6-5-7-17-18(16)22-20(30-17)24(11-10-23(2)3)19(26)14-12-13(21)8-9-15(14)25(27)28/h5-9,12H,4,10-11H2,1-3H3/p+1