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

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(4-methoxycarbonylphenyl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-(4-methoxycarbonylbenzoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[(4-methoxycarbonylphenyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-(4-methoxycarbonylbenzoyl)amino]ethyl-diethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-(4-carbomethoxybenzoyl)amino]ethyl-diethyl-ammonium Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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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)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-4-24(5-2)14-15-25(22-23-18-8-6-7-9-19(18)29-22)20(26)16-10-12-17(13-11-16)21(27)28-3/h6-13H,4-5,14-15H2,1-3H3/p+1