2-[(4-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-ethoxyphenyl)ethanoyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-ethoxyphenyl)ethanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-ethoxyphenyl)acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-ethoxyphenyl)-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-[2-(4-ethoxyphenyl)acetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-p-phenetylacetyl)amino]ethyl-dimethyl-ammonium Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(=O)N(CC[NH+](C)C)C2=NC3=C(C=CC=C3S2)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)N(CC[NH+](C)C)C2=NC3=C(C=CC=C3S2)OCC

InChI

InChI=1S/C23H29N3O3S/c1-5-28-18-12-10-17(11-13-18)16-21(27)26(15-14-25(3)4)23-24-22-19(29-6-2)8-7-9-20(22)30-23/h7-13H,5-6,14-16H2,1-4H3/p+1