(3S)-1-ethyl-3-methyl-N-[(4-oxidanylidene-1H-pyrimidin-6-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-ethyl-3-methyl-N-[(4-oxidanylidene-1H-pyrimidin-6-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-ethyl-3-methyl-N-[(4-oxo-1H-pyrimidin-6-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-ethyl-3-methyl-N-[(4-oxo-1H-pyrimidin-6-yl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-ethyl-3-methyl-N-[(4-oxo-1H-pyrimidin-6-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-ethyl-N-[(4-keto-1H-pyrimidin-6-yl)methyl]-3-methyl-piperidin-1-ium-3-carboxamide Formula: C14H23N4O2+ MolecularWeight: 279.35802

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC(C1)(C)C(=O)NCC2=CC(=O)N=CN2

Isomeric SMILES

CC[NH+]1CCC[C@](C1)(C)C(=O)NCC2=CC(=O)N=CN2

InChI

InChI=1S/C14H22N4O2/c1-3-18-6-4-5-14(2,9-18)13(20)15-8-11-7-12(19)17-10-16-11/h7,10H,3-6,8-9H2,1-2H3,(H,15,20)(H,16,17,19)/p+1/t14-/m0/s1