2-[1,3-benzothiazol-2-yl-(4-propan-2-yloxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(4-propan-2-yloxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-(4-isopropoxybenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[oxo-(4-propan-2-yloxyphenyl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-(4-propan-2-yloxybenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-(4-isopropoxybenzoyl)amino]ethyl-dimethyl-ammonium Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H25N3O2S/c1-15(2)26-17-11-9-16(10-12-17)20(25)24(14-13-23(3)4)21-22-18-7-5-6-8-19(18)27-21/h5-12,15H,13-14H2,1-4H3/p+1