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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl]-methyl-ammonium Formula: C19H22N5O3S+ MolecularWeight: 400.47468

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O3S/c1-23(13-19-22-16-4-2-3-5-17(16)28-19)12-18(25)21-11-10-20-14-6-8-15(9-7-14)24(26)27/h2-9,20H,10-13H2,1H3,(H,21,25)/p+1