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

Systemtic Name: 3-[(4-dimethylaminophenyl)carbonyl-(6-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(dimethylamino)benzoyl]-(6-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-dimethylaminophenyl)-oxomethyl]-(6-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(dimethylamino)benzoyl]-(6-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[[4-(dimethylamino)benzoyl]-(6-ethoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+](C)C)C(=O)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C23H30N4O2S/c1-6-29-19-12-13-20-21(16-19)30-23(24-20)27(15-7-14-25(2)3)22(28)17-8-10-18(11-9-17)26(4)5/h8-13,16H,6-7,14-15H2,1-5H3/p+1