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

Systemtic Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-nitrophenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-nitrobenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-[(2-nitrophenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-nitrobenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-nitrobenzoyl)amino]ethyl-dimethyl-ammonium Formula: C20H23N4O4S+ MolecularWeight: 415.48602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c1-4-28-16-10-7-11-17-18(16)21-20(29-17)23(13-12-22(2)3)19(25)14-8-5-6-9-15(14)24(26)27/h5-11H,4,12-13H2,1-3H3/p+1