(3S)-1-(6-ethyl-2-morpholin-4-yl-pyrimidin-3-ium-4-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(6-ethyl-2-morpholin-4-yl-pyrimidin-3-ium-4-yl)piperidine-3-carboxamide Openeye Name: (3S)-1-(6-ethyl-2-morpholino-pyrimidin-3-ium-4-yl)piperidine-3-carboxamide CAS Name: (3S)-1-[6-ethyl-2-(4-morpholinyl)-4-pyrimidin-3-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(6-ethyl-2-morpholin-4-ylpyrimidin-3-ium-4-yl)piperidine-3-carboxamide Traditional Name: (3S)-1-(6-ethyl-2-morpholino-pyrimidin-3-ium-4-yl)nipecotamide Formula: C16H26N5O2+ MolecularWeight: 320.40994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=[NH+]C(=N1)N2CCOCC2)N3CCCC(C3)C(=O)N

Isomeric SMILES

CCC1=CC(=[NH+]C(=N1)N2CCOCC2)N3CCC[C@@H](C3)C(=O)N

InChI

InChI=1S/C16H25N5O2/c1-2-13-10-14(21-5-3-4-12(11-21)15(17)22)19-16(18-13)20-6-8-23-9-7-20/h10,12H,2-9,11H2,1H3,(H2,17,22)/p+1/t12-/m0/s1