N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-(propan-2-ylamino)pyridin-1-ium-3-carboxamide

Systemtic Name: N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-(propan-2-ylamino)pyridin-1-ium-3-carboxamide Openeye Name: N-[3-(3,5-dimethylisoxazol-4-yl)propyl]-6-(isopropylamino)pyridin-1-ium-3-carboxamide CAS Name: N-[3-(3,5-dimethyl-4-isoxazolyl)propyl]-6-(propan-2-ylamino)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-(propan-2-ylamino)pyridin-1-ium-3-carboxamide Traditional Name: N-[3-(3,5-dimethylisoxazol-4-yl)propyl]-6-(isopropylamino)pyridin-1-ium-3-carboxamide Formula: C17H25N4O2+ MolecularWeight: 317.406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CCCNC(=O)C2=C[NH+]=C(C=C2)NC(C)C

Isomeric SMILES

CC1=C(C(=NO1)C)CCCNC(=O)C2=C[NH+]=C(C=C2)NC(C)C

InChI

InChI=1S/C17H24N4O2/c1-11(2)20-16-8-7-14(10-19-16)17(22)18-9-5-6-15-12(3)21-23-13(15)4/h7-8,10-11H,5-6,9H2,1-4H3,(H,18,22)(H,19,20)/p+1