2-[(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-(4-nitrophenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-(4-nitrophenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(4-nitrobenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-[(4-nitrophenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(4-nitrobenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(4-nitrobenzoyl)amino]ethyl-dimethyl-ammonium Formula: C19H20ClN4O3S+ MolecularWeight: 419.9051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

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