3-[(4-ethanoylphenyl)carbonyl-(6-ethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-ethanoylphenyl)carbonyl-(6-ethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-acetylbenzoyl)-(6-ethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-acetylphenyl)-oxomethyl]-(6-ethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-acetylbenzoyl)-(6-ethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-acetylbenzoyl)-(6-ethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S/c1-5-17-7-12-20-21(15-17)29-23(24-20)26(14-6-13-25(3)4)22(28)19-10-8-18(9-11-19)16(2)27/h7-12,15H,5-6,13-14H2,1-4H3/p+1