[4-(6-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]azanium

Systemtic Name: [4-(6-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]azanium Openeye Name: [4-(6-butyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]ammonium CAS Name: [4-(6-butyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]ammonium IUPAC Name: [4-(6-butyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]azanium Traditional Name: [4-(6-butyl-4-keto-1H-pyrimidin-2-yl)benzyl]-methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]ammonium Formula: C21H28N5O+ MolecularWeight: 366.47992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+](C)CC3=NNC(=C3)C

Isomeric SMILES

CCCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+](C)CC3=NNC(=C3)C

InChI

InChI=1S/C21H27N5O/c1-4-5-6-18-12-20(27)23-21(22-18)17-9-7-16(8-10-17)13-26(3)14-19-11-15(2)24-25-19/h7-12H,4-6,13-14H2,1-3H3,(H,24,25)(H,22,23,27)/p+1