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

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(4-methoxycarbonylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-(4-methoxycarbonylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[(4-methoxycarbonylphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-(4-methoxycarbonylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-(4-carbomethoxybenzoyl)amino]ethyl-dimethyl-ammonium Formula: C20H22N3O3S+ MolecularWeight: 384.47198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c1-22(2)12-13-23(20-21-16-6-4-5-7-17(16)27-20)18(24)14-8-10-15(11-9-14)19(25)26-3/h4-11H,12-13H2,1-3H3/p+1