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

Systemtic Name: (3R)-N-(3-morpholin-4-ium-4-ylpropyl)-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide Openeye Name: (3R)-N-(3-morpholin-4-ium-4-ylpropyl)-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide CAS Name: (3R)-N-[3-(4-morpholin-4-iumyl)propyl]-1-(5-nitro-2-pyridin-1-iumyl)-3-piperidinecarboxamide IUPAC Name: (3R)-N-(3-morpholin-4-ium-4-ylpropyl)-1-(5-nitropyridin-1-ium-2-yl)piperidine-3-carboxamide Traditional Name: (3R)-N-(3-morpholin-4-ium-4-ylpropyl)-1-(5-nitropyridin-1-ium-2-yl)nipecotamide Formula: C18H29N5O4+2 MolecularWeight: 379.45396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O4/c24-18(19-6-2-7-21-9-11-27-12-10-21)15-3-1-8-22(14-15)17-5-4-16(13-20-17)23(25)26/h4-5,13,15H,1-3,6-12,14H2,(H,19,24)/p+2/t15-/m1/s1