5-[3,6-dimethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]pentyl-(phenylmethyl)azanium

Systemtic Name: 5-[3,6-dimethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]pentyl-(phenylmethyl)azanium Openeye Name: benzyl-[5-(3,6-dimethyl-2,4-dioxo-pyrimidin-1-yl)pentyl]ammonium CAS Name: 5-(3,6-dimethyl-2,4-dioxo-1-pyrimidinyl)pentyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[5-(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)pentyl]azanium Traditional Name: benzyl-[5-(2,4-diketo-3,6-dimethyl-pyrimidin-1-yl)pentyl]ammonium Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=O)N1CCCCC[NH2+]CC2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=O)N(C(=O)N1CCCCC[NH2+]CC2=CC=CC=C2)C

InChI

InChI=1S/C18H25N3O2/c1-15-13-17(22)20(2)18(23)21(15)12-8-4-7-11-19-14-16-9-5-3-6-10-16/h3,5-6,9-10,13,19H,4,7-8,11-12,14H2,1-2H3/p+1