N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide Openeye Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-1-(5-nitro-2-pyridin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-(5-nitropyridin-1-ium-2-yl)piperidine-4-carboxamide Traditional Name: N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-(5-nitropyridin-1-ium-2-yl)isonipecotamide Formula: C18H29N5O3+2 MolecularWeight: 363.45456

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2CCN(CC2)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O3/c1-2-21-9-3-4-15(21)12-20-18(24)14-7-10-22(11-8-14)17-6-5-16(13-19-17)23(25)26/h5-6,13-15H,2-4,7-12H2,1H3,(H,20,24)/p+2/t15-/m0/s1