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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S/c1-22(2)11-6-12-23(19(25)14-7-4-8-15(13-14)24(26)27)20-21-18-16(28-3)9-5-10-17(18)29-20/h4-5,7-10,13H,6,11-12H2,1-3H3/p+1