trimethyl-(6-methyl-3-piperidin-1-ylcarbonyloxy-2-propan-2-yl-phenyl)azanium iodide

Systemtic Name: trimethyl-(6-methyl-3-piperidin-1-ylcarbonyloxy-2-propan-2-yl-phenyl)azanium iodide Openeye Name: [2-isopropyl-6-methyl-3-(piperidine-1-carbonyloxy)phenyl]-trimethyl-ammonium iodide CAS Name: trimethyl-[6-methyl-3-[oxo(1-piperidinyl)methoxy]-2-propan-2-ylphenyl]ammonium iodide IUPAC Name: trimethyl-[6-methyl-3-(piperidine-1-carbonyloxy)-2-propan-2-ylphenyl]azanium iodide Traditional Name: [2-isopropyl-6-methyl-3-(piperidine-1-carbonyloxy)phenyl]-trimethyl-ammonium iodide Formula: C19H31IN2O2 MolecularWeight: 446.36611

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)OC(=O)N2CCCCC2)C(C)C)[N+](C)(C)C.[I-]

Isomeric SMILES

CC1=C(C(=C(C=C1)OC(=O)N2CCCCC2)C(C)C)[N+](C)(C)C.[I-]

InChI

InChI=1S/C19H31N2O2.HI/c1-14(2)17-16(11-10-15(3)18(17)21(4,5)6)23-19(22)20-12-8-7-9-13-20;/h10-11,14H,7-9,12-13H2,1-6H3;1H/q+1;/p-1