(3S)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide Openeye Name: (3S)-N-[(3-isopropylisoxazol-5-yl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-1-[3-(4-morpholin-4-iumyl)propyl]-6-oxo-N-[(3-propan-2-yl-5-isoxazolyl)methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide Traditional Name: (3S)-N-[(3-isopropylisoxazol-5-yl)methyl]-6-keto-1-(3-morpholin-4-ium-4-ylpropyl)nipecotamide Formula: C20H33N4O4+ MolecularWeight: 393.50042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=C1)CNC(=O)C2CCC(=O)N(C2)CCC[NH+]3CCOCC3

Isomeric SMILES

CC(C)C1=NOC(=C1)CNC(=O)[C@H]2CCC(=O)N(C2)CCC[NH+]3CCOCC3

InChI

InChI=1S/C20H32N4O4/c1-15(2)18-12-17(28-22-18)13-21-20(26)16-4-5-19(25)24(14-16)7-3-6-23-8-10-27-11-9-23/h12,15-16H,3-11,13-14H2,1-2H3,(H,21,26)/p+1/t16-/m0/s1