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

Systemtic Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-(2-phenoxyphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-(2-phenoxybenzoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-[oxo-(2-phenoxyphenyl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-(2-phenoxybenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-(2-phenoxybenzoyl)amino]propyl-dimethyl-ammonium Formula: C26H28N3O3S+ MolecularWeight: 462.58382

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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=C3OC4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)C3=CC=CC=C3OC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3S/c1-28(2)17-10-18-29(26-27-24-22(31-3)15-9-16-23(24)33-26)25(30)20-13-7-8-14-21(20)32-19-11-5-4-6-12-19/h4-9,11-16H,10,17-18H2,1-3H3/p+1