[4-[6-(2-azaniumylethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl-methyl-[(3-methylpyridin-2-yl)methyl]azanium

Systemtic Name: [4-[6-(2-azaniumylethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl-methyl-[(3-methylpyridin-2-yl)methyl]azanium Openeye Name: [4-[6-(2-azaniumylethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-[(3-methyl-2-pyridyl)methyl]ammonium CAS Name: [4-[6-(2-ammonioethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-[(3-methyl-2-pyridinyl)methyl]ammonium IUPAC Name: [4-[6-(2-azaniumylethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-[(3-methylpyridin-2-yl)methyl]azanium Traditional Name: [4-[6-(2-ammonioethyl)-4-keto-1H-pyrimidin-2-yl]benzyl]-methyl-[(3-methyl-2-pyridyl)methyl]ammonium Formula: C21H27N5O+2 MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C[NH+](C)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)CC[NH3+]

Isomeric SMILES

CC1=C(N=CC=C1)C[NH+](C)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)CC[NH3+]

InChI

InChI=1S/C21H25N5O/c1-15-4-3-11-23-19(15)14-26(2)13-16-5-7-17(8-6-16)21-24-18(9-10-22)12-20(27)25-21/h3-8,11-12H,9-10,13-14,22H2,1-2H3,(H,24,25,27)/p+2