[(2S,3S,6S)-3-oxidanyl-6-[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethyl]oxan-2-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [(2S,3S,6S)-3-oxidanyl-6-[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethyl]oxan-2-yl]-pyrrolidin-1-yl-methanone Openeye Name: [(2S,3S,6S)-3-hydroxy-6-[2-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethyl]tetrahydropyran-2-yl]-pyrrolidin-1-yl-methanone CAS Name: [(2S,3S,6S)-3-hydroxy-6-[2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]ethyl]-2-oxanyl]-(1-pyrrolidinyl)methanone IUPAC Name: [(2S,3S,6S)-3-hydroxy-6-[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethyl]oxan-2-yl]-pyrrolidin-1-ylmethanone Traditional Name: [(2S,3S,6S)-3-hydroxy-6-[2-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethyl]tetrahydropyran-2-yl]-pyrrolidino-methanone Formula: C21H33N4O3+ MolecularWeight: 389.51172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2C(CCC(O2)CC[NH+]3CCN(CC3)C4=CC=CC=N4)O

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H]2[C@H](CC[C@H](O2)CC[NH+]3CCN(CC3)C4=CC=CC=N4)O

InChI

InChI=1S/C21H32N4O3/c26-18-7-6-17(28-20(18)21(27)25-10-3-4-11-25)8-12-23-13-15-24(16-14-23)19-5-1-2-9-22-19/h1-2,5,9,17-18,20,26H,3-4,6-8,10-16H2/p+1/t17-,18-,20-/m0/s1