(2S)-1-[[3-(6-cyclopentyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl]-N-ethyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[[3-(6-cyclopentyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl]-N-ethyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[[3-(6-cyclopentyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]-N-ethyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[[3-(6-cyclopentyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]-N-ethyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[[3-(6-cyclopentyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl]-N-ethylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[3-(6-cyclopentyl-4-keto-1H-pyrimidin-2-yl)benzyl]-N-ethyl-pyrrolidin-1-ium-2-carboxamide Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1CCC[NH+]1CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4CCCC4

Isomeric SMILES

CCNC(=O)[C@@H]1CCC[NH+]1CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C4CCCC4

InChI

InChI=1S/C23H30N4O2/c1-2-24-23(29)20-11-6-12-27(20)15-16-7-5-10-18(13-16)22-25-19(14-21(28)26-22)17-8-3-4-9-17/h5,7,10,13-14,17,20H,2-4,6,8-9,11-12,15H2,1H3,(H,24,29)(H,25,26,28)/p+1/t20-/m0/s1