3-[(6-chloranyl-1,3-benzothiazol-2-yl)-(3-nitrophenyl)carbonyl-amino]propyl-dimethyl-azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN4O3S/c1-22(2)9-4-10-23(18(25)13-5-3-6-15(11-13)24(26)27)19-21-16-8-7-14(20)12-17(16)28-19/h3,5-8,11-12H,4,9-10H2,1-2H3/p+1