N-[2-[[4-bromanyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]-3-morpholin-4-ium-4-yl-propanamide

Systemtic Name: N-[2-[[4-bromanyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]-3-morpholin-4-ium-4-yl-propanamide Openeye Name: N-[2-(2-benzoyl-4-bromo-anilino)-2-oxo-ethyl]-3-morpholin-4-ium-4-yl-propanamide CAS Name: N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-3-(4-morpholin-4-iumyl)propanamide IUPAC Name: N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-3-morpholin-4-ium-4-ylpropanamide Traditional Name: N-[2-(2-benzoyl-4-bromo-anilino)-2-keto-ethyl]-3-morpholin-4-ium-4-yl-propionamide Formula: C22H25BrN3O4+ MolecularWeight: 475.3556

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CCC(=O)NCC(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24BrN3O4/c23-17-6-7-19(18(14-17)22(29)16-4-2-1-3-5-16)25-21(28)15-24-20(27)8-9-26-10-12-30-13-11-26/h1-7,14H,8-13,15H2,(H,24,27)(H,25,28)/p+1