propan-2-yl 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzoic acid isopropyl ester Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O3S/c1-15(2)29-23(28)16-9-11-17(12-10-16)24-21(27)14-26-13-5-7-19(26)22-25-18-6-3-4-8-20(18)30-22/h3-4,6,8-12,15,19H,5,7,13-14H2,1-2H3,(H,24,27)/p+1/t19-/m1/s1