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

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(4-dimethylaminophenyl)carbonyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-[4-(dimethylamino)benzoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[(4-dimethylaminophenyl)-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-[4-(dimethylamino)benzoyl]amino]ethyl-diethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-[4-(dimethylamino)benzoyl]amino]ethyl-diethyl-ammonium Formula: C22H29N4OS+ MolecularWeight: 397.55686

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4OS/c1-5-25(6-2)15-16-26(22-23-19-9-7-8-10-20(19)28-22)21(27)17-11-13-18(14-12-17)24(3)4/h7-14H,5-6,15-16H2,1-4H3/p+1