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1,3-benzothiazol-2-ylmethyl 4-(pyrrolidin-1-ium-1-ylmethyl)benzoate

1,3-benzothiazol-2-ylmethyl 4-(pyrrolidin-1-ium-1-ylmethyl)benzoate

Systemtic Name:1,3-benzothiazol-2-ylmethyl 4-(pyrrolidin-1-ium-1-ylmethyl)benzoate
Openeye Name:1,3-benzothiazol-2-ylmethyl 4-(pyrrolidin-1-ium-1-ylmethyl)benzoate
CAS Name:4-(1-pyrrolidin-1-iumylmethyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester
IUPAC Name:1,3-benzothiazol-2-ylmethyl 4-(pyrrolidin-1-ium-1-ylmethyl)benzoate
Traditional Name:4-(pyrrolidin-1-ium-1-ylmethyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester
Formula: C20H21N2O2S+
MolecularWeight: 353.45794
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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3


Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3


InChI

InChI=1S/C20H20N2O2S/c23-20(24-14-19-21-17-5-1-2-6-18(17)25-19)16-9-7-15(8-10-16)13-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2/p+1


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