5-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]thiophene-2-carboxylate

Systemtic Name: 5-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]thiophene-2-carboxylate Openeye Name: 5-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]thiophene-2-carboxylate CAS Name: 5-[3-(1-pyrrolidin-1-iumylmethyl)phenyl]-2-thiophenecarboxylate IUPAC Name: 5-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]thiophene-2-carboxylate Traditional Name: 5-[3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]-2-thenoate Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC(=C2)C3=CC=C(S3)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC(=C2)C3=CC=C(S3)C(=O)[O-]

InChI

InChI=1S/C16H17NO2S/c18-16(19)15-7-6-14(20-15)13-5-3-4-12(10-13)11-17-8-1-2-9-17/h3-7,10H,1-2,8-9,11H2,(H,18,19)