N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-pyrimidin-2-yl-piperidine-4-carboxamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-1-(2-pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-(2-pyrimidyl)isonipecotamide Formula: C17H28N5O+ MolecularWeight: 318.43712

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)C2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H27N5O/c1-2-21-10-3-5-15(21)13-20-16(23)14-6-11-22(12-7-14)17-18-8-4-9-19-17/h4,8-9,14-15H,2-3,5-7,10-13H2,1H3,(H,20,23)/p+1/t15-/m0/s1