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(5-methyl-2-propan-2-yl-cyclohexyl) 2-pyridin-1-ium-1-ylethanoate chloride

(5-methyl-2-propan-2-yl-cyclohexyl) 2-pyridin-1-ium-1-ylethanoate chloride

Systemtic Name:(5-methyl-2-propan-2-yl-cyclohexyl) 2-pyridin-1-ium-1-ylethanoate chloride
Openeye Name:(2-isopropyl-5-methyl-cyclohexyl) 2-pyridin-1-ium-1-ylacetate chloride
CAS Name:2-(1-pyridin-1-iumyl)acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester chloride
IUPAC Name:(5-methyl-2-propan-2-ylcyclohexyl) 2-pyridin-1-ium-1-ylacetate chloride
Traditional Name:2-pyridin-1-ium-1-ylacetic acid (2-isopropyl-5-methyl-cyclohexyl) ester chloride
Formula: C17H26ClNO2
MolecularWeight: 311.84684
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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C[N+]2=CC=CC=C2)C(C)C.[Cl-]


Isomeric SMILES

CC1CCC(C(C1)OC(=O)C[N+]2=CC=CC=C2)C(C)C.[Cl-]


InChI

InChI=1S/C17H26NO2.ClH/c1-13(2)15-8-7-14(3)11-16(15)20-17(19)12-18-9-5-4-6-10-18;/h4-6,9-10,13-16H,7-8,11-12H2,1-3H3;1H/q+1;/p-1


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