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

Systemtic Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]ethyl]azanium Openeye Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]ethyl]ammonium CAS Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(1-oxo-3-phenoxypropyl)amino]ethyl]ammonium IUPAC Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]ethyl]azanium Traditional Name: diethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(3-phenoxypropanoyl)amino]ethyl]ammonium Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)C)C(=O)CCOC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCN(C1=NC2=C(C=CC=C2S1)C)C(=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O2S/c1-4-25(5-2)15-16-26(21(27)14-17-28-19-11-7-6-8-12-19)23-24-22-18(3)10-9-13-20(22)29-23/h6-13H,4-5,14-17H2,1-3H3/p+1