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

Systemtic Name: 3-[(4-ethoxy-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-ethoxy-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(4-ethoxy-1,3-benzothiazol-2-yl)-(1-oxo-3-phenoxypropyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(4-ethoxy-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(4-ethoxy-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]propyl-dimethyl-ammonium Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+](C)C)C(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3S/c1-4-28-19-12-8-13-20-22(19)24-23(30-20)26(16-9-15-25(2)3)21(27)14-17-29-18-10-6-5-7-11-18/h5-8,10-13H,4,9,14-17H2,1-3H3/p+1