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

Systemtic Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-(4-propan-2-yloxyphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-isopropoxybenzoyl)-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-[oxo-(4-propan-2-yloxyphenyl)methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-(4-propan-2-yloxybenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-isopropoxybenzoyl)-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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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=C(S2)C=C(C=C3)OC

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)OC

InChI

InChI=1S/C22H27N3O3S/c1-15(2)28-17-8-6-16(7-9-17)21(26)25(13-12-24(3)4)22-23-19-11-10-18(27-5)14-20(19)29-22/h6-11,14-15H,12-13H2,1-5H3/p+1