2-pyrrolidin-1-ium-1-ylethyl 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: 2-pyrrolidin-1-ium-1-ylethyl 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: 2-pyrrolidin-1-ium-1-ylethyl 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid 2-(1-pyrrolidin-1-iumyl)ethyl ester IUPAC Name: 2-pyrrolidin-1-ium-1-ylethyl 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid 2-pyrrolidin-1-ium-1-ylethyl ester Formula: C15H17ClNO2S+ MolecularWeight: 310.81898

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC(=O)C2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

C1CC[NH+](C1)CCOC(=O)C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C15H16ClNO2S/c16-13-11-5-1-2-6-12(11)20-14(13)15(18)19-10-9-17-7-3-4-8-17/h1-2,5-6H,3-4,7-10H2/p+1