ethyl 2-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 2-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 2-[[2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C[NH+]2CCC[C@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O3S/c1-2-29-23(28)17-9-3-4-10-18(17)24-21(27)15-26-13-7-8-16(14-26)22-25-19-11-5-6-12-20(19)30-22/h3-6,9-12,16H,2,7-8,13-15H2,1H3,(H,24,27)/p+1/t16-/m1/s1