[4-(6-cyclobutyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-(2-imidazol-1-ylethyl)-methyl-azanium

Systemtic Name: [4-(6-cyclobutyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-(2-imidazol-1-ylethyl)-methyl-azanium Openeye Name: [4-(6-cyclobutyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-(2-imidazol-1-ylethyl)-methyl-ammonium CAS Name: [4-(6-cyclobutyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-[2-(1-imidazolyl)ethyl]-methylammonium IUPAC Name: [4-(6-cyclobutyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-(2-imidazol-1-ylethyl)-methylazanium Traditional Name: [4-(6-cyclobutyl-4-keto-1H-pyrimidin-2-yl)benzyl]-(2-imidazol-1-ylethyl)-methyl-ammonium Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCN1C=CN=C1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4CCC4

Isomeric SMILES

C[NH+](CCN1C=CN=C1)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4CCC4

InChI

InChI=1S/C21H25N5O/c1-25(11-12-26-10-9-22-15-26)14-16-5-7-18(8-6-16)21-23-19(13-20(27)24-21)17-3-2-4-17/h5-10,13,15,17H,2-4,11-12,14H2,1H3,(H,23,24,27)/p+1