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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)OC(C)C

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)OC(C)C

InChI

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