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

Systemtic Name: 1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-[2-(hexadecoxymethyl)pentoxy]propan-2-ol Openeye Name: 1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-[2-(hexadecoxymethyl)pentoxy]propan-2-ol CAS Name: 1-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-[2-(hexadecoxymethyl)pentoxy]-2-propanol IUPAC Name: 1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-[2-(hexadecoxymethyl)pentoxy]propan-2-ol Traditional Name: 1-[2-(cetyloxymethyl)pentoxy]-3-[4-(dimethylamino)pyridin-1-ium-1-yl]propan-2-ol Formula: C32H61N2O3+ MolecularWeight: 521.83834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H61N2O3/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/q+1