(3R)-N-(2-morpholin-4-ium-4-ylethyl)-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide

Systemtic Name: (3R)-N-(2-morpholin-4-ium-4-ylethyl)-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide Openeye Name: (3R)-N-(2-morpholin-4-ium-4-ylethyl)-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide CAS Name: (3R)-N-[2-(4-morpholin-4-iumyl)ethyl]-1-(5-nitro-2-pyridin-1-iumyl)-3-piperidinecarboxamide IUPAC Name: (3R)-N-(2-morpholin-4-ium-4-ylethyl)-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide Traditional Name: (3R)-N-(2-morpholin-4-ium-4-ylethyl)-1-(5-nitropyridin-1-ium-2-yl)nipecotamide Formula: C17H27N5O4+2 MolecularWeight: 365.42738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

C1C[C@H](CN(C1)C2=[NH+]C=C(C=C2)[N+](=O)[O-])C(=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C17H25N5O4/c23-17(18-5-7-20-8-10-26-11-9-20)14-2-1-6-21(13-14)16-4-3-15(12-19-16)22(24)25/h3-4,12,14H,1-2,5-11,13H2,(H,18,23)/p+2/t14-/m1/s1