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

Systemtic Name: [3-(6-cyclopentyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-methyl-(pyridin-3-ylmethyl)azanium Openeye Name: [3-(6-cyclopentyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-(3-pyridylmethyl)ammonium CAS Name: [3-(6-cyclopentyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-(3-pyridinylmethyl)ammonium IUPAC Name: [3-(6-cyclopentyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-(pyridin-3-ylmethyl)azanium Traditional Name: [3-(6-cyclopentyl-4-keto-1H-pyrimidin-2-yl)benzyl]-methyl-(3-pyridylmethyl)ammonium Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN=CC=C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4CCCC4

Isomeric SMILES

C[NH+](CC1=CN=CC=C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4CCCC4

InChI

InChI=1S/C23H26N4O/c1-27(16-18-7-5-11-24-14-18)15-17-6-4-10-20(12-17)23-25-21(13-22(28)26-23)19-8-2-3-9-19/h4-7,10-14,19H,2-3,8-9,15-16H2,1H3,(H,25,26,28)/p+1