diethyl-[2-[(6-ethyl-1,3-benzothiazol-2-yl)-(phenylcarbonyl)amino]ethyl]azanium

Systemtic Name: diethyl-[2-[(6-ethyl-1,3-benzothiazol-2-yl)-(phenylcarbonyl)amino]ethyl]azanium Openeye Name: 2-[benzoyl-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium CAS Name: 2-[benzoyl-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylammonium IUPAC Name: 2-[benzoyl-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethylazanium Traditional Name: 2-[benzoyl-(6-ethyl-1,3-benzothiazol-2-yl)amino]ethyl-diethyl-ammonium Formula: C22H28N3OS+ MolecularWeight: 382.54222

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](CC)CC)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CC[NH+](CC)CC)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3OS/c1-4-17-12-13-19-20(16-17)27-22(23-19)25(15-14-24(5-2)6-3)21(26)18-10-8-7-9-11-18/h7-13,16H,4-6,14-15H2,1-3H3/p+1