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

Systemtic Name: [3-[6-(cyclopentylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl-(2-hydroxyethyl)-methyl-azanium Openeye Name: [3-[6-(cyclopentylmethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-(2-hydroxyethyl)-methyl-ammonium CAS Name: [3-[6-(cyclopentylmethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-(2-hydroxyethyl)-methylammonium IUPAC Name: [3-[6-(cyclopentylmethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-(2-hydroxyethyl)-methylazanium Traditional Name: [3-[6-(cyclopentylmethyl)-4-keto-1H-pyrimidin-2-yl]benzyl]-(2-hydroxyethyl)-methyl-ammonium Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCO)CC1=CC=CC(=C1)C2=NC(=O)C=C(N2)CC3CCCC3

Isomeric SMILES

C[NH+](CCO)CC1=CC=CC(=C1)C2=NC(=O)C=C(N2)CC3CCCC3

InChI

InChI=1S/C20H27N3O2/c1-23(9-10-24)14-16-7-4-8-17(11-16)20-21-18(13-19(25)22-20)12-15-5-2-3-6-15/h4,7-8,11,13,15,24H,2-3,5-6,9-10,12,14H2,1H3,(H,21,22,25)/p+1