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methyl 4-(1-cyclopentylpyridin-1-ium-4-yl)benzoate

methyl 4-(1-cyclopentylpyridin-1-ium-4-yl)benzoate

Systemtic Name:methyl 4-(1-cyclopentylpyridin-1-ium-4-yl)benzoate
Openeye Name:methyl 4-(1-cyclopentylpyridin-1-ium-4-yl)benzoate
CAS Name:4-(1-cyclopentyl-4-pyridin-1-iumyl)benzoic acid methyl ester
IUPAC Name:methyl 4-(1-cyclopentylpyridin-1-ium-4-yl)benzoate
Traditional Name:4-(1-cyclopentylpyridin-1-ium-4-yl)benzoic acid methyl ester
Formula: C18H20NO2+
MolecularWeight: 282.3569
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC=[N+](C=C2)C3CCCC3


Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC=[N+](C=C2)C3CCCC3


InChI

InChI=1S/C18H20NO2/c1-21-18(20)16-8-6-14(7-9-16)15-10-12-19(13-11-15)17-4-2-3-5-17/h6-13,17H,2-5H2,1H3/q+1


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