6-[(3S)-3-oxidanylpyrrolidin-1-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 6-[(3S)-3-oxidanylpyrrolidin-1-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide Openeye Name: 6-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(3-propylisoxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide CAS Name: 6-[(3S)-3-hydroxy-1-pyrrolidinyl]-N-[(3-propyl-5-isoxazolyl)methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide Traditional Name: 6-[(3S)-3-hydroxypyrrolidino]-N-[(3-propylisoxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide Formula: C17H23N4O3+ MolecularWeight: 331.38952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=C1)CNC(=O)C2=C[NH+]=C(C=C2)N3CCC(C3)O

Isomeric SMILES

CCCC1=NOC(=C1)CNC(=O)C2=C[NH+]=C(C=C2)N3CC[C@@H](C3)O

InChI

InChI=1S/C17H22N4O3/c1-2-3-13-8-15(24-20-13)10-19-17(23)12-4-5-16(18-9-12)21-7-6-14(22)11-21/h4-5,8-9,14,22H,2-3,6-7,10-11H2,1H3,(H,19,23)/p+1/t14-/m0/s1