4-bromanyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-nitro-benzamide

Systemtic Name: 4-bromanyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-nitro-benzamide Openeye Name: 4-bromo-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-nitro-benzamide CAS Name: 4-bromo-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-3-nitrobenzamide IUPAC Name: 4-bromo-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-nitrobenzamide Traditional Name: 4-bromo-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-nitro-benzamide Formula: C19H21BrN3O4+ MolecularWeight: 435.29174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O4/c20-16-7-6-15(12-18(16)23(25)26)19(24)21-17(14-4-2-1-3-5-14)13-22-8-10-27-11-9-22/h1-7,12,17H,8-11,13H2,(H,21,24)/p+1/t17-/m1/s1