3-[3,6-dimethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]propyl-(phenylmethyl)azanium

Systemtic Name: 3-[3,6-dimethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]propyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-(3,6-dimethyl-2,4-dioxo-pyrimidin-1-yl)propyl]ammonium CAS Name: 3-(3,6-dimethyl-2,4-dioxo-1-pyrimidinyl)propyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)propyl]azanium Traditional Name: benzyl-[3-(2,4-diketo-3,6-dimethyl-pyrimidin-1-yl)propyl]ammonium Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=O)N1CCC[NH2+]CC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=O)N(C(=O)N1CCC[NH2+]CC2=CC=CC=C2)C

InChI

InChI=1S/C16H21N3O2/c1-13-11-15(20)18(2)16(21)19(13)10-6-9-17-12-14-7-4-3-5-8-14/h3-5,7-8,11,17H,6,9-10,12H2,1-2H3/p+1