methyl-[[4-(4-oxidanylidene-6-propan-2-yl-1H-pyrimidin-2-yl)phenyl]methyl]-[(1R)-1-thiophen-2-ylethyl]azanium

Systemtic Name: methyl-[[4-(4-oxidanylidene-6-propan-2-yl-1H-pyrimidin-2-yl)phenyl]methyl]-[(1R)-1-thiophen-2-ylethyl]azanium Openeye Name: [4-(6-isopropyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[(1R)-1-(2-thienyl)ethyl]ammonium CAS Name: methyl-[[4-(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)phenyl]methyl]-[(1R)-1-thiophen-2-ylethyl]ammonium IUPAC Name: methyl-[[4-(4-oxo-6-propan-2-yl-1H-pyrimidin-2-yl)phenyl]methyl]-[(1R)-1-thiophen-2-ylethyl]azanium Traditional Name: [4-(6-isopropyl-4-keto-1H-pyrimidin-2-yl)benzyl]-methyl-[(1R)-1-(2-thienyl)ethyl]ammonium Formula: C21H26N3OS+ MolecularWeight: 368.51564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+](C)C(C)C3=CC=CS3

Isomeric SMILES

C[C@H](C1=CC=CS1)[NH+](C)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C(C)C

InChI

InChI=1S/C21H25N3OS/c1-14(2)18-12-20(25)23-21(22-18)17-9-7-16(8-10-17)13-24(4)15(3)19-6-5-11-26-19/h5-12,14-15H,13H2,1-4H3,(H,22,23,25)/p+1/t15-/m1/s1