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

Systemtic Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-6-(2-methylpropyl)-2-oxidanylidene-1H-pyrimidine-4-carboxamide Openeye Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-6-isobutyl-2-oxo-1H-pyrimidine-4-carboxamide CAS Name: N-[(3S)-1-[(4-chlorophenyl)methyl]-3-piperidin-1-iumyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide IUPAC Name: N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-1-ium-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide Traditional Name: N-[(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-6-isobutyl-2-keto-1H-pyrimidine-4-carboxamide Formula: C21H28ClN4O2+ MolecularWeight: 403.92562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=NC(=O)N1)C(=O)NC2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)CC1=CC(=NC(=O)N1)C(=O)N[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H27ClN4O2/c1-14(2)10-18-11-19(25-21(28)24-18)20(27)23-17-4-3-9-26(13-17)12-15-5-7-16(22)8-6-15/h5-8,11,14,17H,3-4,9-10,12-13H2,1-2H3,(H,23,27)(H,24,25,28)/p+1/t17-/m0/s1