2-[1,3-benzothiazol-2-yl-(4-nitrophenyl)carbonyl-amino]ethyl-diethyl-azanium

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(4-nitrophenyl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-(4-nitrobenzoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[(4-nitrophenyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-(4-nitrobenzoyl)amino]ethyl-diethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-(4-nitrobenzoyl)amino]ethyl-diethyl-ammonium Formula: C20H23N4O3S+ MolecularWeight: 399.48662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3S/c1-3-22(4-2)13-14-23(20-21-17-7-5-6-8-18(17)28-20)19(25)15-9-11-16(12-10-15)24(26)27/h5-12H,3-4,13-14H2,1-2H3/p+1