2-[(6-ethyl-1,3-benzothiazol-2-yl)-(4-nitrophenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-(4-nitrophenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-(4-nitrobenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-[(4-nitrophenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-(4-nitrobenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-ethyl-1,3-benzothiazol-2-yl)-(4-nitrobenzoyl)amino]ethyl-dimethyl-ammonium Formula: C20H23N4O3S+ MolecularWeight: 399.48662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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