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

Systemtic Name: methyl-[[3-[6-(oxan-4-yl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl]-(thiophen-2-ylmethyl)azanium Openeye Name: methyl-[[3-(4-oxo-6-tetrahydropyran-4-yl-1H-pyrimidin-2-yl)phenyl]methyl]-(2-thienylmethyl)ammonium CAS Name: methyl-[[3-[6-(4-oxanyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: methyl-[[3-[6-(oxan-4-yl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [3-(4-keto-6-tetrahydropyran-4-yl-1H-pyrimidin-2-yl)benzyl]-methyl-(2-thenyl)ammonium Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC(=C1)C2=NC(=O)C=C(N2)C3CCOCC3)CC4=CC=CS4

Isomeric SMILES

C[NH+](CC1=CC=CC(=C1)C2=NC(=O)C=C(N2)C3CCOCC3)CC4=CC=CS4

InChI

InChI=1S/C22H25N3O2S/c1-25(15-19-6-3-11-28-19)14-16-4-2-5-18(12-16)22-23-20(13-21(26)24-22)17-7-9-27-10-8-17/h2-6,11-13,17H,7-10,14-15H2,1H3,(H,23,24,26)/p+1