1,3-benzothiazol-2-ylmethyl-methyl-[2-[methyl-(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[methyl-(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-(N-methyl-4-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-(N-methyl-4-nitroanilino)-2-oxoethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-(N-methyl-4-nitro-anilino)ethyl]-methyl-ammonium Formula: C18H19N4O3S+ MolecularWeight: 371.43346

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N(C)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)N(C)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3S/c1-20(11-17-19-15-5-3-4-6-16(15)26-17)12-18(23)21(2)13-7-9-14(10-8-13)22(24)25/h3-10H,11-12H2,1-2H3/p+1