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

Systemtic Name: methyl-[[3-(4-oxidanylidene-6-piperidin-1-ium-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: methyl-[[3-(4-oxo-6-piperidin-1-ium-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]-(3-pyridylmethyl)ammonium CAS Name: methyl-[[3-[4-oxo-6-(4-piperidin-1-iumyl)-1H-pyrimidin-2-yl]phenyl]methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: methyl-[[3-(4-oxo-6-piperidin-1-ium-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: [3-(4-keto-6-piperidin-1-ium-4-yl-1H-pyrimidin-2-yl)benzyl]-methyl-(3-pyridylmethyl)ammonium Formula: C23H29N5O+2 MolecularWeight: 391.50926

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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)C4CC[NH2+]CC4

Isomeric SMILES

C[NH+](CC1=CN=CC=C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4CC[NH2+]CC4

InChI

InChI=1S/C23H27N5O/c1-28(16-18-5-3-9-25-14-18)15-17-4-2-6-20(12-17)23-26-21(13-22(29)27-23)19-7-10-24-11-8-19/h2-6,9,12-14,19,24H,7-8,10-11,15-16H2,1H3,(H,26,27,29)/p+2