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

Systemtic Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(4-propan-2-yloxyphenyl)carbonyl-amino]ethyl]azanium Openeye Name: 2-[(4-isopropoxybenzoyl)-(4-methyl-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-[oxo-(4-propan-2-yloxyphenyl)methyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(4-propan-2-yloxybenzoyl)amino]ethyl]azanium Traditional Name: 2-[(4-isopropoxybenzoyl)-(4-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=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)OC(C)C

Isomeric SMILES

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

InChI

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