diethyl-[2-[(5-methoxy-1,3-benzothiazol-2-yl)-(2-phenoxyethanoyl)amino]ethyl]azanium

Systemtic Name: diethyl-[2-[(5-methoxy-1,3-benzothiazol-2-yl)-(2-phenoxyethanoyl)amino]ethyl]azanium Openeye Name: diethyl-[2-[(5-methoxy-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(5-methoxy-1,3-benzothiazol-2-yl)-(1-oxo-2-phenoxyethyl)amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(5-methoxy-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(5-methoxy-1,3-benzothiazol-2-yl)-(2-phenoxyacetyl)amino]ethyl]ammonium Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(S1)C=CC(=C2)OC)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(S1)C=CC(=C2)OC)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S/c1-4-24(5-2)13-14-25(21(26)16-28-17-9-7-6-8-10-17)22-23-19-15-18(27-3)11-12-20(19)29-22/h6-12,15H,4-5,13-14,16H2,1-3H3/p+1