2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-phenoxyethanoyl)amino]ethyl-diethyl-azanium

Systemtic Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-phenoxyethanoyl)amino]ethyl-diethyl-azanium Openeye Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]ethyl-diethyl-ammonium CAS Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(1-oxo-2-phenoxyethyl)amino]ethyl-diethylammonium IUPAC Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]ethyl-diethylazanium Traditional Name: 2-[(4-ethoxy-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]ethyl-diethyl-ammonium Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)OCC)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)OCC)C(=O)COC3=CC=CC=C3

InChI

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