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

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-6-(2-methylpropyl)-2-oxidanylidene-1H-pyrimidine-4-carboxamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-6-isobutyl-2-oxo-1H-pyrimidine-4-carboxamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-6-isobutyl-2-keto-1H-pyrimidine-4-carboxamide Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=NC(=O)N1)C(=O)NC2CCC[NH+](C2)C3CC4=CC=CC=C4C3

Isomeric SMILES

CC(C)CC1=CC(=NC(=O)N1)C(=O)N[C@H]2CCC[NH+](C2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C23H30N4O2/c1-15(2)10-19-13-21(26-23(29)25-19)22(28)24-18-8-5-9-27(14-18)20-11-16-6-3-4-7-17(16)12-20/h3-4,6-7,13,15,18,20H,5,8-12,14H2,1-2H3,(H,24,28)(H,25,26,29)/p+1/t18-/m0/s1