2-hexadecyl-2-(phenylmethyl)morpholin-4-ium bromide

Systemtic Name: 2-hexadecyl-2-(phenylmethyl)morpholin-4-ium bromide Openeye Name: 2-benzyl-2-hexadecyl-morpholin-4-ium bromide CAS Name: 2-hexadecyl-2-(phenylmethyl)morpholin-4-ium bromide IUPAC Name: 2-benzyl-2-hexadecylmorpholin-4-ium bromide Traditional Name: 2-benzyl-2-cetyl-morpholin-4-ium bromide Formula: C27H48BrNO MolecularWeight: 482.58012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1(C[NH2+]CCO1)CC2=CC=CC=C2.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1(C[NH2+]CCO1)CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C27H47NO.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-27(25-28-22-23-29-27)24-26-19-16-15-17-20-26;/h15-17,19-20,28H,2-14,18,21-25H2,1H3;1H