4-azanyl-3-hexadecyl-1H-pyrimidin-3-ium-2-one

Systemtic Name: 4-azanyl-3-hexadecyl-1H-pyrimidin-3-ium-2-one Openeye Name: 4-amino-3-hexadecyl-1H-pyrimidin-3-ium-2-one CAS Name: 4-amino-3-hexadecyl-1H-pyrimidin-3-ium-2-one IUPAC Name: 4-amino-3-hexadecyl-1H-pyrimidin-3-ium-2-one Traditional Name: 4-amino-3-cetyl-1H-pyrimidin-3-ium-2-one Formula: C20H38N3O+ MolecularWeight: 336.53522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=C(C=CNC1=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=C(C=CNC1=O)N

InChI

InChI=1S/C20H37N3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-19(21)16-17-22-20(23)24/h16-17H,2-15,18H2,1H3,(H2,21,22,24)/p+1