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

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(3-nitrophenyl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(3-nitrobenzoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-[(3-nitrophenyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(3-nitrobenzoyl)amino]ethyl-diethylazanium Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(3-nitrobenzoyl)amino]ethyl-diethyl-ammonium Formula: C22H27N4O4S+ MolecularWeight: 443.53918

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)OCC)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)OCC)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4S/c1-4-24(5-2)12-13-25(21(27)16-8-7-9-17(14-16)26(28)29)22-23-19-11-10-18(30-6-3)15-20(19)31-22/h7-11,14-15H,4-6,12-13H2,1-3H3/p+1