3-[(5-methoxy-1,3-benzothiazol-2-yl)-(2-phenylethanoyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(5-methoxy-1,3-benzothiazol-2-yl)-(2-phenylethanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(5-methoxy-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(5-methoxy-1,3-benzothiazol-2-yl)-(1-oxo-2-phenylethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(5-methoxy-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]propyl-dimethylazanium Traditional Name: 3-[(5-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(S1)C=CC(=C2)OC)C(=O)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCCN(C1=NC2=C(S1)C=CC(=C2)OC)C(=O)CC3=CC=CC=C3

InChI

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