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

Systemtic Name: [4-[6-(2-azaniumylethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl-methyl-[(E)-3-phenylprop-2-enyl]azanium Openeye Name: [4-[6-(2-azaniumylethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-[(E)-cinnamyl]-methyl-ammonium CAS Name: [4-[6-(2-ammonioethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-[(E)-3-phenylprop-2-enyl]ammonium IUPAC Name: [4-[6-(2-azaniumylethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-[(E)-3-phenylprop-2-enyl]azanium Traditional Name: [4-[6-(2-ammonioethyl)-4-keto-1H-pyrimidin-2-yl]benzyl]-[(E)-cinnamyl]-methyl-ammonium Formula: C23H28N4O+2 MolecularWeight: 376.49462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O/c1-27(15-5-8-18-6-3-2-4-7-18)17-19-9-11-20(12-10-19)23-25-21(13-14-24)16-22(28)26-23/h2-12,16H,13-15,17,24H2,1H3,(H,25,26,28)/p+2/b8-5+