(E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[(1R)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-(3-nitrophenyl)acrylamide Formula: C21H24N3O4+ MolecularWeight: 382.43296

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(C2=CC=CC=C2)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1C[C@@H](C2=CC=CC=C2)NC(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O4/c25-21(10-9-17-5-4-8-19(15-17)24(26)27)22-20(18-6-2-1-3-7-18)16-23-11-13-28-14-12-23/h1-10,15,20H,11-14,16H2,(H,22,25)/p+1/b10-9+/t20-/m0/s1