(5-methyl-2-propan-2-yl-cyclohexyl) 2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoate chloride

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoate chloride Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(3-carbamoylpyridin-1-ium-1-yl)acetate chloride CAS Name: 2-(3-carbamoyl-1-pyridin-1-iumyl)acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester chloride IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-(3-carbamoylpyridin-1-ium-1-yl)acetate chloride Traditional Name: 2-(3-carbamoylpyridin-1-ium-1-yl)acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester chloride Formula: C18H27ClN2O3 MolecularWeight: 354.87158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3.ClH/c1-12(2)15-7-6-13(3)9-16(15)23-17(21)11-20-8-4-5-14(10-20)18(19)22;/h4-5,8,10,12-13,15-16H,6-7,9,11H2,1-3H3,(H-,19,22);1H