6-(2-methylpropyl)-2-oxidanylidene-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrimidine-4-carboxamide

Systemtic Name: 6-(2-methylpropyl)-2-oxidanylidene-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrimidine-4-carboxamide Openeye Name: 6-isobutyl-2-oxo-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrimidine-4-carboxamide CAS Name: 6-(2-methylpropyl)-2-oxo-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-1H-pyrimidine-4-carboxamide IUPAC Name: 6-(2-methylpropyl)-2-oxo-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrimidine-4-carboxamide Traditional Name: 6-isobutyl-2-keto-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1H-pyrimidine-4-carboxamide Formula: C22H31N4O2+ MolecularWeight: 383.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=NC(=O)N1)C(=O)NC2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC1=CC(=NC(=O)N1)C(=O)N[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O2/c1-16(2)13-19-14-20(25-22(28)24-19)21(27)23-18-9-6-11-26(15-18)12-10-17-7-4-3-5-8-17/h3-5,7-8,14,16,18H,6,9-13,15H2,1-2H3,(H,23,27)(H,24,25,28)/p+1/t18-/m0/s1