4-(pyrrolidin-1-ium-1-ylmethyl)benzoic acid

Systemtic Name: 4-(pyrrolidin-1-ium-1-ylmethyl)benzoic acid Openeye Name: 4-(pyrrolidin-1-ium-1-ylmethyl)benzoic acid CAS Name: 4-(1-pyrrolidin-1-iumylmethyl)benzoic acid IUPAC Name: 4-(pyrrolidin-1-ium-1-ylmethyl)benzoic acid Traditional Name: 4-(pyrrolidin-1-ium-1-ylmethyl)benzoic acid Formula: C12H16NO2+ MolecularWeight: 206.26094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO2/c14-12(15)11-5-3-10(4-6-11)9-13-7-1-2-8-13/h3-6H,1-2,7-9H2,(H,14,15)/p+1