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

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(3-nitrophenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(3-nitrobenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-[(3-nitrophenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(3-nitrobenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)-(3-nitrobenzoyl)amino]ethyl-dimethyl-ammonium Formula: C20H23N4O4S+ MolecularWeight: 415.48602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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