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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]-methyl-ammonium Formula: C18H19N4O4S+ MolecularWeight: 387.43286

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4S/c1-21(11-18-20-14-5-3-4-6-16(14)27-18)10-17(23)19-13-8-7-12(26-2)9-15(13)22(24)25/h3-9H,10-11H2,1-2H3,(H,19,23)/p+1