1,3-benzothiazol-2-ylmethyl-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl]-methyl-ammonium Formula: C19H21N4O4S+ MolecularWeight: 401.45944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C[NH+](C)CC2=NC3=CC=CC=C3S2)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c1-12-8-15(23(25)26)16(27-3)9-14(12)20-18(24)10-22(2)11-19-21-13-6-4-5-7-17(13)28-19/h4-9H,10-11H2,1-3H3,(H,20,24)/p+1