[4-[6-(2-azaniumylethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl-cyclopropyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [4-[6-(2-azaniumylethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl-cyclopropyl-(pyridin-4-ylmethyl)azanium Openeye Name: [4-[6-(2-azaniumylethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-cyclopropyl-(4-pyridylmethyl)ammonium CAS Name: [4-[6-(2-ammonioethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-cyclopropyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [4-[6-(2-azaniumylethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-cyclopropyl-(pyridin-4-ylmethyl)azanium Traditional Name: [4-[6-(2-ammonioethyl)-4-keto-1H-pyrimidin-2-yl]benzyl]-cyclopropyl-(4-pyridylmethyl)ammonium Formula: C22H27N5O+2 MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1[NH+](CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)CC[NH3+])CC4=CC=NC=C4

Isomeric SMILES

C1CC1[NH+](CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)CC[NH3+])CC4=CC=NC=C4

InChI

InChI=1S/C22H25N5O/c23-10-7-19-13-21(28)26-22(25-19)18-3-1-16(2-4-18)14-27(20-5-6-20)15-17-8-11-24-12-9-17/h1-4,8-9,11-13,20H,5-7,10,14-15,23H2,(H,25,26,28)/p+2