iodanylmethane; 3-piperidin-1-ylpropyl 2-ethyl-2-methyl-hexanoate

Systemtic Name: iodanylmethane; 3-piperidin-1-ylpropyl 2-ethyl-2-methyl-hexanoate Openeye Name: iodomethane; 3-(1-piperidyl)propyl 2-ethyl-2-methyl-hexanoate CAS Name: 2-ethyl-2-methylhexanoic acid 3-(1-piperidinyl)propyl ester; iodomethane IUPAC Name: iodomethane; 3-piperidin-1-ylpropyl 2-ethyl-2-methylhexanoate Traditional Name: 2-ethyl-2-methyl-hexanoic acid 3-piperidinopropyl ester; iodomethane Formula: C18H36INO2 MolecularWeight: 425.38841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CC)C(=O)OCCCN1CCCCC1.CI

Isomeric SMILES

CCCCC(C)(CC)C(=O)OCCCN1CCCCC1.CI

InChI

InChI=1S/C17H33NO2.CH3I/c1-4-6-11-17(3,5-2)16(19)20-15-10-14-18-12-8-7-9-13-18;1-2/h4-15H2,1-3H3;1H3