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

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(4-methoxyphenyl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-(4-methoxybenzoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[(4-methoxyphenyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-(4-methoxybenzoyl)amino]ethyl-diethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl(p-anisoyl)amino]ethyl-diethyl-ammonium Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-4-23(5-2)14-15-24(20(25)16-10-12-17(26-3)13-11-16)21-22-18-8-6-7-9-19(18)27-21/h6-13H,4-5,14-15H2,1-3H3/p+1