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

Systemtic Name: 3-[(4-ethoxyphenyl)carbonyl-(6-ethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-ethoxybenzoyl)-(6-ethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-ethoxyphenyl)-oxomethyl]-(6-ethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-ethoxybenzoyl)-(6-ethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-ethoxybenzoyl)-(6-ethyl-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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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)OCC

Isomeric SMILES

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

InChI

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