(3R)-1-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]piperidin-1-ium-3-carboxamide Formula: C17H27N5O2+2 MolecularWeight: 333.42858

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C(=O)N

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C(=O)N

InChI

InChI=1S/C17H25N5O2/c18-17(24)14-4-3-7-20(12-14)13-16(23)22-10-8-21(9-11-22)15-5-1-2-6-19-15/h1-2,5-6,14H,3-4,7-13H2,(H2,18,24)/p+2/t14-/m1/s1