3-(5-phenyl-1,3-oxazol-2-yl)-1-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]propan-1-one

Systemtic Name: 3-(5-phenyl-1,3-oxazol-2-yl)-1-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]propan-1-one Openeye Name: 1-[2-(isopropylamino)pyridin-1-ium-1-yl]-3-(5-phenyloxazol-2-yl)propan-1-one CAS Name: 3-(5-phenyl-2-oxazolyl)-1-[2-(propan-2-ylamino)-1-pyridin-1-iumyl]-1-propanone IUPAC Name: 3-(5-phenyl-1,3-oxazol-2-yl)-1-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]propan-1-one Traditional Name: 1-[2-(isopropylamino)pyridin-1-ium-1-yl]-3-(5-phenyloxazol-2-yl)propan-1-one Formula: C20H22N3O2+ MolecularWeight: 336.40758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=CC=CC=[N+]1C(=O)CCC2=NC=C(O2)C3=CC=CC=C3

Isomeric SMILES

CC(C)NC1=CC=CC=[N+]1C(=O)CCC2=NC=C(O2)C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2/c1-15(2)22-18-10-6-7-13-23(18)20(24)12-11-19-21-14-17(25-19)16-8-4-3-5-9-16/h3-10,13-15H,11-12H2,1-2H3/p+1