(2S,3S,6S)-3-oxidanyl-6-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-N-propan-2-yl-oxane-2-carboxamide

Systemtic Name: (2S,3S,6S)-3-oxidanyl-6-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-N-propan-2-yl-oxane-2-carboxamide Openeye Name: (2S,3S,6S)-3-hydroxy-N-isopropyl-6-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]tetrahydropyran-2-carboxamide CAS Name: (2S,3S,6S)-3-hydroxy-6-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-N-propan-2-yl-2-oxanecarboxamide IUPAC Name: (2S,3S,6S)-3-hydroxy-6-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-N-propan-2-yloxane-2-carboxamide Traditional Name: (2S,3S,6S)-3-hydroxy-N-isopropyl-6-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]tetrahydropyran-2-carboxamide Formula: C21H34N3O3+ MolecularWeight: 376.51296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1C(CCC(O1)CC[NH+]2CCN(CC2)C3=CC=CC=C3)O

Isomeric SMILES

CC(C)NC(=O)[C@@H]1[C@H](CC[C@H](O1)CC[NH+]2CCN(CC2)C3=CC=CC=C3)O

InChI

InChI=1S/C21H33N3O3/c1-16(2)22-21(26)20-19(25)9-8-18(27-20)10-11-23-12-14-24(15-13-23)17-6-4-3-5-7-17/h3-7,16,18-20,25H,8-15H2,1-2H3,(H,22,26)/p+1/t18-,19-,20-/m0/s1