1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-[2-(hexadecoxymethyl)pentoxy]propan-2-ol bromide

Systemtic Name: 1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-[2-(hexadecoxymethyl)pentoxy]propan-2-ol bromide Openeye Name: 1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-[2-(hexadecoxymethyl)pentoxy]propan-2-ol bromide CAS Name: 1-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-[2-(hexadecoxymethyl)pentoxy]-2-propanol bromide IUPAC Name: 1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-[2-(hexadecoxymethyl)pentoxy]propan-2-ol bromide Traditional Name: 1-[2-(cetyloxymethyl)pentoxy]-3-[4-(dimethylamino)pyridin-1-ium-1-yl]propan-2-ol bromide Formula: C32H61BrN2O3 MolecularWeight: 601.74234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CCC)COCC(C[N+]1=CC=C(C=C1)N(C)C)O.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CCC)COCC(C[N+]1=CC=C(C=C1)N(C)C)O.[Br-]

InChI

InChI=1S/C32H61N2O3.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-25-36-27-30(20-6-2)28-37-29-32(35)26-34-23-21-31(22-24-34)33(3)4;/h21-24,30,32,35H,5-20,25-29H2,1-4H3;1H/q+1;/p-1