1-[[4-(6-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[[4-(6-butyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[[4-(6-butyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[4-(6-butyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[[4-(6-butyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[4-(6-butyl-4-keto-1H-pyrimidin-2-yl)benzyl]piperidin-1-ium-4-carboxamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

CCCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C21H28N4O2/c1-2-3-4-18-13-19(26)24-21(23-18)17-7-5-15(6-8-17)14-25-11-9-16(10-12-25)20(22)27/h5-8,13,16H,2-4,9-12,14H2,1H3,(H2,22,27)(H,23,24,26)/p+1