iodanylmethane; 3-(4-methylpiperazin-1-yl)propyl 2-ethyl-2-methyl-hexanoate

Systemtic Name: iodanylmethane; 3-(4-methylpiperazin-1-yl)propyl 2-ethyl-2-methyl-hexanoate Openeye Name: iodomethane; 3-(4-methylpiperazin-1-yl)propyl 2-ethyl-2-methyl-hexanoate CAS Name: 2-ethyl-2-methylhexanoic acid 3-(4-methyl-1-piperazinyl)propyl ester; iodomethane IUPAC Name: iodomethane; 3-(4-methylpiperazin-1-yl)propyl 2-ethyl-2-methylhexanoate Traditional Name: 2-ethyl-2-methyl-hexanoic acid 3-(4-methylpiperazino)propyl ester; iodomethane Formula: C18H37IN2O2 MolecularWeight: 440.40305

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CC)C(=O)OCCCN1CCN(CC1)C.CI

Isomeric SMILES

CCCCC(C)(CC)C(=O)OCCCN1CCN(CC1)C.CI

InChI

InChI=1S/C17H34N2O2.CH3I/c1-5-7-9-17(3,6-2)16(20)21-15-8-10-19-13-11-18(4)12-14-19;1-2/h5-15H2,1-4H3;1H3