[4-(dimethylamino)-5-methyl-2-propan-2-yl-phenyl] 1-methylpiperidin-1-ium-1-carboxylate chloride

Systemtic Name: [4-(dimethylamino)-5-methyl-2-propan-2-yl-phenyl] 1-methylpiperidin-1-ium-1-carboxylate chloride Openeye Name: [4-(dimethylamino)-2-isopropyl-5-methyl-phenyl] 1-methylpiperidin-1-ium-1-carboxylate chloride CAS Name: 1-methyl-1-piperidin-1-iumcarboxylic acid [4-(dimethylamino)-5-methyl-2-propan-2-ylphenyl] ester chloride IUPAC Name: [4-(dimethylamino)-5-methyl-2-propan-2-ylphenyl] 1-methylpiperidin-1-ium-1-carboxylate chloride Traditional Name: 1-methylpiperidin-1-ium-1-carboxylic acid [4-(dimethylamino)-2-isopropyl-5-methyl-phenyl] ester chloride Formula: C19H31ClN2O2 MolecularWeight: 354.91464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OC(=O)[N+]2(CCCCC2)C)C(C)C)N(C)C.[Cl-]

Isomeric SMILES

CC1=C(C=C(C(=C1)OC(=O)[N+]2(CCCCC2)C)C(C)C)N(C)C.[Cl-]

InChI

InChI=1S/C19H31N2O2.ClH/c1-14(2)16-13-17(20(4)5)15(3)12-18(16)23-19(22)21(6)10-8-7-9-11-21;/h12-14H,7-11H2,1-6H3;1H/q+1;/p-1