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

Systemtic Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-(4-methoxycarbonylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-(4-methoxycarbonylbenzoyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-[(4-methoxycarbonylphenyl)-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(6-methoxy-1,3-benzothiazol-2-yl)-(4-methoxycarbonylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-carbomethoxybenzoyl)-(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl-dimethyl-ammonium Formula: C21H24N3O4S+ MolecularWeight: 414.49796

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(S1)C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H23N3O4S/c1-23(2)11-12-24(19(25)14-5-7-15(8-6-14)20(26)28-4)21-22-17-10-9-16(27-3)13-18(17)29-21/h5-10,13H,11-12H2,1-4H3/p+1