6-[(2R)-2-ethyl-3-oxidanylidene-piperazin-1-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 6-[(2R)-2-ethyl-3-oxidanylidene-piperazin-1-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide Openeye Name: 6-[(2R)-2-ethyl-3-oxo-piperazin-1-yl]-N-[(3-propylisoxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide CAS Name: 6-[(2R)-2-ethyl-3-oxo-1-piperazinyl]-N-[(3-propyl-5-isoxazolyl)methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[(2R)-2-ethyl-3-oxopiperazin-1-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide Traditional Name: 6-[(2R)-2-ethyl-3-keto-piperazino]-N-[(3-propylisoxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide Formula: C19H26N5O3+ MolecularWeight: 372.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=C1)CNC(=O)C2=C[NH+]=C(C=C2)N3CCNC(=O)C3CC

Isomeric SMILES

CCCC1=NOC(=C1)CNC(=O)C2=C[NH+]=C(C=C2)N3CCNC(=O)[C@H]3CC

InChI

InChI=1S/C19H25N5O3/c1-3-5-14-10-15(27-23-14)12-22-18(25)13-6-7-17(21-11-13)24-9-8-20-19(26)16(24)4-2/h6-7,10-11,16H,3-5,8-9,12H2,1-2H3,(H,20,26)(H,22,25)/p+1/t16-/m1/s1