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

Systemtic Name: 3-[2-(4-ethoxyphenyl)ethanoyl-(6-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(4-ethoxyphenyl)acetyl]-(6-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(4-ethoxyphenyl)-1-oxoethyl]-(6-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(4-ethoxyphenyl)acetyl]-(6-methoxy-1,3-benzothiazol-2-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(6-methoxy-1,3-benzothiazol-2-yl)-(2-p-phenetylacetyl)amino]propyl-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(CCC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(=O)N(CCC[NH+](C)C)C2=NC3=C(S2)C=C(C=C3)OC

InChI

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