(3R)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-(5-nitropyridin-2-yl)piperidine-3-carboxamide

Systemtic Name: (3R)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-(5-nitropyridin-2-yl)piperidine-3-carboxamide Openeye Name: (3R)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-(5-nitro-2-pyridyl)piperidine-3-carboxamide CAS Name: (3R)-N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-1-(5-nitro-2-pyridinyl)-3-piperidinecarboxamide IUPAC Name: (3R)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-(5-nitropyridin-2-yl)piperidine-3-carboxamide Traditional Name: (3R)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-(5-nitro-2-pyridyl)nipecotamide Formula: C18H28N5O3+ MolecularWeight: 362.44662

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2CCCN(C2)C3=NC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]2CCCN(C2)C3=NC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H27N5O3/c1-2-21-9-4-6-15(21)11-20-18(24)14-5-3-10-22(13-14)17-8-7-16(12-19-17)23(25)26/h7-8,12,14-15H,2-6,9-11,13H2,1H3,(H,20,24)/p+1/t14-,15+/m1/s1