1-pyrrolidin-1-ium-1-ylbutan-2-ol benzoate

Systemtic Name: 1-pyrrolidin-1-ium-1-ylbutan-2-ol benzoate Openeye Name: 1-pyrrolidin-1-ium-1-ylbutan-2-ol benzoate CAS Name: 1-(1-pyrrolidin-1-iumyl)-2-butanol benzoate IUPAC Name: 1-pyrrolidin-1-ium-1-ylbutan-2-ol benzoate Traditional Name: 1-pyrrolidin-1-ium-1-ylbutan-2-ol benzoate Formula: C15H23NO3 MolecularWeight: 265.34802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C[NH+]1CCCC1)O.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCC(C[NH+]1CCCC1)O.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C8H17NO.C7H6O2/c1-2-8(10)7-9-5-3-4-6-9;8-7(9)6-4-2-1-3-5-6/h8,10H,2-7H2,1H3;1-5H,(H,8,9)