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

Systemtic Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-methylphenyl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-methylbenzoyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-[(2-methylphenyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-methylbenzoyl)amino]ethyl-diethylazanium Traditional Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-o-toluoyl-amino]ethyl-diethyl-ammonium Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)OCC)C(=O)C3=CC=CC=C3C

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)OCC)C(=O)C3=CC=CC=C3C

InChI

InChI=1S/C23H29N3O2S/c1-5-25(6-2)15-16-26(22(27)18-12-9-8-11-17(18)4)23-24-21-19(28-7-3)13-10-14-20(21)29-23/h8-14H,5-7,15-16H2,1-4H3/p+1