2-[(6-methoxy-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-(1-oxo-3-phenoxypropyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]ethyl-dimethyl-ammonium Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)CCOC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3S/c1-23(2)12-13-24(20(25)11-14-27-16-7-5-4-6-8-16)21-22-18-10-9-17(26-3)15-19(18)28-21/h4-10,15H,11-14H2,1-3H3/p+1