6-(hexadecoxymethyl)-4-(4-pyridin-1-ium-1-ylbutyl)morpholin-3-one bromide

Systemtic Name: 6-(hexadecoxymethyl)-4-(4-pyridin-1-ium-1-ylbutyl)morpholin-3-one bromide Openeye Name: 6-(hexadecoxymethyl)-4-(4-pyridin-1-ium-1-ylbutyl)morpholin-3-one bromide CAS Name: 6-(hexadecoxymethyl)-4-[4-(1-pyridin-1-iumyl)butyl]-3-morpholinone bromide IUPAC Name: 6-(hexadecoxymethyl)-4-(4-pyridin-1-ium-1-ylbutyl)morpholin-3-one bromide Traditional Name: 6-(cetyloxymethyl)-4-(4-pyridin-1-ium-1-ylbutyl)morpholin-3-one bromide Formula: C30H53BrN2O3 MolecularWeight: 569.65742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC1CN(C(=O)CO1)CCCC[N+]2=CC=CC=C2.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC1CN(C(=O)CO1)CCCC[N+]2=CC=CC=C2.[Br-]

InChI

InChI=1S/C30H53N2O3.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-34-27-29-26-32(30(33)28-35-29)24-19-18-23-31-21-16-15-17-22-31;/h15-17,21-22,29H,2-14,18-20,23-28H2,1H3;1H/q+1;/p-1