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

Systemtic Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(4-methoxycarbonylphenyl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(4-methoxycarbonylbenzoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-[(4-methoxycarbonylphenyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)-(4-methoxycarbonylbenzoyl)amino]ethyl-diethylazanium Traditional Name: 2-[(4-carbomethoxybenzoyl)-(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C24H30N3O3S+ MolecularWeight: 440.5783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3S/c1-6-26(7-2)12-13-27(22(28)18-8-10-19(11-9-18)23(29)30-5)24-25-21-17(4)14-16(3)15-20(21)31-24/h8-11,14-15H,6-7,12-13H2,1-5H3/p+1