3-(3-ethenyl-2-methyl-imidazol-1-ium-1-yl)propan-1-ol benzoate

Systemtic Name: 3-(3-ethenyl-2-methyl-imidazol-1-ium-1-yl)propan-1-ol benzoate Openeye Name: 3-(2-methyl-3-vinyl-imidazol-1-ium-1-yl)propan-1-ol benzoate CAS Name: 3-(3-ethenyl-2-methyl-1-imidazol-1-iumyl)-1-propanol benzoate IUPAC Name: 3-(3-ethenyl-2-methylimidazol-1-ium-1-yl)propan-1-ol benzoate Traditional Name: 3-(2-methyl-3-vinyl-imidazol-1-ium-1-yl)propan-1-ol benzoate Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1C=C)CCCO.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC1=[N+](C=CN1C=C)CCCO.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C9H15N2O.C7H6O2/c1-3-10-6-7-11(9(10)2)5-4-8-12;8-7(9)6-4-2-1-3-5-6/h3,6-7,12H,1,4-5,8H2,2H3;1-5H,(H,8,9)/q+1;/p-1