2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(4-propan-2-yloxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(4-propan-2-yloxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(4-isopropoxybenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-[oxo-(4-propan-2-yloxyphenyl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(4-propan-2-yloxybenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(4-isopropoxybenzoyl)amino]ethyl-dimethyl-ammonium Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)OC(C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)OC(C)C)C

InChI

InChI=1S/C23H29N3O2S/c1-15(2)28-19-9-7-18(8-10-19)22(27)26(12-11-25(5)6)23-24-21-17(4)13-16(3)14-20(21)29-23/h7-10,13-15H,11-12H2,1-6H3/p+1