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(3-methylimidazol-3-ium-1-yl)methyl 2-phenylbutanoate chloride

(3-methylimidazol-3-ium-1-yl)methyl 2-phenylbutanoate chloride

Systemtic Name:(3-methylimidazol-3-ium-1-yl)methyl 2-phenylbutanoate chloride
Openeye Name:(3-methylimidazol-3-ium-1-yl)methyl 2-phenylbutanoate chloride
CAS Name:2-phenylbutanoic acid (3-methyl-1-imidazol-3-iumyl)methyl ester chloride
IUPAC Name:(3-methylimidazol-3-ium-1-yl)methyl 2-phenylbutanoate chloride
Traditional Name:2-phenylbutyric acid (3-methylimidazol-3-ium-1-yl)methyl ester chloride
Formula: C15H19ClN2O2
MolecularWeight: 294.77656
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OCN2C=C[N+](=C2)C.[Cl-]


Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OCN2C=C[N+](=C2)C.[Cl-]


InChI

InChI=1S/C15H19N2O2.ClH/c1-3-14(13-7-5-4-6-8-13)15(18)19-12-17-10-9-16(2)11-17;/h4-11,14H,3,12H2,1-2H3;1H/q+1;/p-1


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