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

Systemtic Name: 2-[(4-chloranyl-1,3-benzothiazol-2-yl)-[2-(4-ethoxyphenyl)ethanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-[2-(4-ethoxyphenyl)acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-[2-(4-ethoxyphenyl)-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-[2-(4-ethoxyphenyl)acetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(4-chloro-1,3-benzothiazol-2-yl)-(2-p-phenetylacetyl)amino]ethyl-dimethyl-ammonium Formula: C21H25ClN3O2S+ MolecularWeight: 418.9601

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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(S2)C=CC=C3Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)N(CC[NH+](C)C)C2=NC3=C(S2)C=CC=C3Cl

InChI

InChI=1S/C21H24ClN3O2S/c1-4-27-16-10-8-15(9-11-16)14-19(26)25(13-12-24(2)3)21-23-20-17(22)6-5-7-18(20)28-21/h5-11H,4,12-14H2,1-3H3/p+1