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

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(3-methylphenyl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-(3-methylbenzoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[(3-methylphenyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-(3-methylbenzoyl)amino]ethyl-diethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl(m-toluoyl)amino]ethyl-diethyl-ammonium Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3OS/c1-4-23(5-2)13-14-24(20(25)17-10-8-9-16(3)15-17)21-22-18-11-6-7-12-19(18)26-21/h6-12,15H,4-5,13-14H2,1-3H3/p+1