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

Systemtic Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-(2-phenylethanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-(1-oxo-2-phenylethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-methoxy-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]propyl-dimethyl-ammonium Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c1-23(2)13-8-14-24(19(25)15-16-9-5-4-6-10-16)21-22-20-17(26-3)11-7-12-18(20)27-21/h4-7,9-12H,8,13-15H2,1-3H3/p+1