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

Systemtic Name: 6-(cyclobutylamino)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide Openeye Name: 6-(cyclobutylamino)-N-[(3-propylisoxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide CAS Name: 6-(cyclobutylamino)-N-[(3-propyl-5-isoxazolyl)methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-(cyclobutylamino)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide Traditional Name: 6-(cyclobutylamino)-N-[(3-propylisoxazol-5-yl)methyl]pyridin-1-ium-3-carboxamide Formula: C17H23N4O2+ MolecularWeight: 315.39012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NOC(=C1)CNC(=O)C2=C[NH+]=C(C=C2)NC3CCC3

Isomeric SMILES

CCCC1=NOC(=C1)CNC(=O)C2=C[NH+]=C(C=C2)NC3CCC3

InChI

InChI=1S/C17H22N4O2/c1-2-4-14-9-15(23-21-14)11-19-17(22)12-7-8-16(18-10-12)20-13-5-3-6-13/h7-10,13H,2-6,11H2,1H3,(H,18,20)(H,19,22)/p+1