[4-(6-cyclopropyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-ethyl-(pyridin-3-ylmethyl)azanium

Systemtic Name: [4-(6-cyclopropyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-ethyl-(pyridin-3-ylmethyl)azanium Openeye Name: [4-(6-cyclopropyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-ethyl-(3-pyridylmethyl)ammonium CAS Name: [4-(6-cyclopropyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-ethyl-(3-pyridinylmethyl)ammonium IUPAC Name: [4-(6-cyclopropyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-ethyl-(pyridin-3-ylmethyl)azanium Traditional Name: [4-(6-cyclopropyl-4-keto-1H-pyrimidin-2-yl)benzyl]-ethyl-(3-pyridylmethyl)ammonium Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(C=C1)C2=NC(=O)C=C(N2)C3CC3)CC4=CN=CC=C4

Isomeric SMILES

CC[NH+](CC1=CC=C(C=C1)C2=NC(=O)C=C(N2)C3CC3)CC4=CN=CC=C4

InChI

InChI=1S/C22H24N4O/c1-2-26(15-17-4-3-11-23-13-17)14-16-5-7-19(8-6-16)22-24-20(18-9-10-18)12-21(27)25-22/h3-8,11-13,18H,2,9-10,14-15H2,1H3,(H,24,25,27)/p+1