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

Systemtic Name: dimethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(4-propan-2-yloxyphenyl)carbonyl-amino]ethyl]azanium Openeye Name: 2-[(4-isopropoxybenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-[oxo-(4-propan-2-yloxyphenyl)methyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(6-methyl-1,3-benzothiazol-2-yl)-(4-propan-2-yloxybenzoyl)amino]ethyl]azanium Traditional Name: 2-[(4-isopropoxybenzoyl)-(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)OC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)OC(C)C

InChI

InChI=1S/C22H27N3O2S/c1-15(2)27-18-9-7-17(8-10-18)21(26)25(13-12-24(4)5)22-23-19-11-6-16(3)14-20(19)28-22/h6-11,14-15H,12-13H2,1-5H3/p+1