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

Systemtic Name: 2-[1,3-benzothiazol-2-yl-[2-(4-ethoxyphenyl)ethanoyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[1,3-benzothiazol-2-yl-[2-(4-ethoxyphenyl)acetyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[1,3-benzothiazol-2-yl-[2-(4-ethoxyphenyl)-1-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[1,3-benzothiazol-2-yl-[2-(4-ethoxyphenyl)acetyl]amino]ethyl-dimethylazanium Traditional Name: 2-[1,3-benzothiazol-2-yl-(2-p-phenetylacetyl)amino]ethyl-dimethyl-ammonium Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-4-26-17-11-9-16(10-12-17)15-20(25)24(14-13-23(2)3)21-22-18-7-5-6-8-19(18)27-21/h5-12H,4,13-15H2,1-3H3/p+1