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

Systemtic Name: [3-(6-cyclobutyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [3-(6-cyclobutyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-(3-thienylmethyl)ammonium CAS Name: [3-(6-cyclobutyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [3-(6-cyclobutyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [3-(6-cyclobutyl-4-keto-1H-pyrimidin-2-yl)benzyl]-methyl-(3-thenyl)ammonium Formula: C21H24N3OS+ MolecularWeight: 366.49976

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4CCC4

Isomeric SMILES

C[NH+](CC1=CSC=C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4CCC4

InChI

InChI=1S/C21H23N3OS/c1-24(13-16-8-9-26-14-16)12-15-4-2-7-18(10-15)21-22-19(11-20(25)23-21)17-5-3-6-17/h2,4,7-11,14,17H,3,5-6,12-13H2,1H3,(H,22,23,25)/p+1