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

Systemtic Name: 2-[(6-chloranyl-1,3-benzothiazol-2-yl)-(3-methylphenyl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-(3-methylbenzoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-[(3-methylphenyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-(3-methylbenzoyl)amino]ethyl-diethylazanium Traditional Name: 2-[(6-chloro-1,3-benzothiazol-2-yl)-m-toluoyl-amino]ethyl-diethyl-ammonium Formula: C21H25ClN3OS+ MolecularWeight: 402.9607

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=C(C=C2)Cl)C(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H24ClN3OS/c1-4-24(5-2)11-12-25(20(26)16-8-6-7-15(3)13-16)21-23-18-10-9-17(22)14-19(18)27-21/h6-10,13-14H,4-5,11-12H2,1-3H3/p+1