2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(2-phenylethanoyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(2-phenylethanoyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(1-oxo-2-phenylethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4,5-dimethyl-1,3-benzothiazol-2-yl)-(2-phenylacetyl)amino]ethyl-dimethyl-ammonium Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC[NH+](C)C)C(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC[NH+](C)C)C(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H25N3OS/c1-15-10-11-18-20(16(15)2)22-21(26-18)24(13-12-23(3)4)19(25)14-17-8-6-5-7-9-17/h5-11H,12-14H2,1-4H3/p+1