2-[(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(1-oxo-3-phenoxypropyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]ethyl-dimethyl-ammonium Formula: C21H25ClN3O2S+ MolecularWeight: 418.9601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)N(CC[NH+](C)C)C(=O)CCOC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)N(CC[NH+](C)C)C(=O)CCOC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H24ClN3O2S/c1-15-13-16(22)14-18-20(15)23-21(28-18)25(11-10-24(2)3)19(26)9-12-27-17-7-5-4-6-8-17/h4-8,13-14H,9-12H2,1-3H3/p+1