hexadecyl-[2-[(4-methoxypyrimidin-2-yl)-(phenylmethyl)amino]ethyl]-dimethyl-azanium

Systemtic Name: hexadecyl-[2-[(4-methoxypyrimidin-2-yl)-(phenylmethyl)amino]ethyl]-dimethyl-azanium Openeye Name: 2-[benzyl-(4-methoxypyrimidin-2-yl)amino]ethyl-hexadecyl-dimethyl-ammonium CAS Name: hexadecyl-[2-[(4-methoxy-2-pyrimidinyl)-(phenylmethyl)amino]ethyl]-dimethylammonium IUPAC Name: 2-[benzyl-(4-methoxypyrimidin-2-yl)amino]ethyl-hexadecyl-dimethylazanium Traditional Name: 2-[benzyl-(4-methoxypyrimidin-2-yl)amino]ethyl-cetyl-dimethyl-ammonium Formula: C32H55N4O+ MolecularWeight: 511.8053

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CCN(CC1=CC=CC=C1)C2=NC=CC(=N2)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CCN(CC1=CC=CC=C1)C2=NC=CC(=N2)OC

InChI

InChI=1S/C32H55N4O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-36(2,3)28-26-35(29-30-22-19-18-20-23-30)32-33-25-24-31(34-32)37-4/h18-20,22-25H,5-17,21,26-29H2,1-4H3/q+1