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

Systemtic Name: [3-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[2-(1-oxidanylcyclopentyl)ethyl]azanium Openeye Name: [3-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-[2-(1-hydroxycyclopentyl)ethyl]-methyl-ammonium CAS Name: [3-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-[2-(1-hydroxycyclopentyl)ethyl]-methylammonium IUPAC Name: [3-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-[2-(1-hydroxycyclopentyl)ethyl]-methylazanium Traditional Name: [3-(6-ethyl-4-keto-1H-pyrimidin-2-yl)benzyl]-[2-(1-hydroxycyclopentyl)ethyl]-methyl-ammonium Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+](C)CCC3(CCCC3)O

Isomeric SMILES

CCC1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+](C)CCC3(CCCC3)O

InChI

InChI=1S/C21H29N3O2/c1-3-18-14-19(25)23-20(22-18)17-8-6-7-16(13-17)15-24(2)12-11-21(26)9-4-5-10-21/h6-8,13-14,26H,3-5,9-12,15H2,1-2H3,(H,22,23,25)/p+1