(E)-N-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]-3-phenyl-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide

Systemtic Name: (E)-N-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]-3-phenyl-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide Openeye Name: (E)-N-[2-(isoxazol-3-ylamino)-2-oxo-ethyl]-3-phenyl-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide CAS Name: (E)-N-[2-(3-isoxazolylamino)-2-oxoethyl]-3-phenyl-N-[2-(1-piperidin-1-iumyl)ethyl]-2-propenamide IUPAC Name: (E)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-3-phenyl-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide Traditional Name: (E)-N-[2-(isoxazol-3-ylamino)-2-keto-ethyl]-3-phenyl-N-(2-piperidin-1-ium-1-ylethyl)acrylamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN(CC(=O)NC2=NOC=C2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CCN(CC(=O)NC2=NOC=C2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H26N4O3/c26-20(22-19-11-16-28-23-19)17-25(15-14-24-12-5-2-6-13-24)21(27)10-9-18-7-3-1-4-8-18/h1,3-4,7-11,16H,2,5-6,12-15,17H2,(H,22,23,26)/p+1/b10-9+