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

Systemtic Name: 2-chloranyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-4-nitro-benzamide Formula: C19H21ClN3O4+ MolecularWeight: 390.84074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O4/c20-17-12-15(23(25)26)6-7-16(17)19(24)21-18(14-4-2-1-3-5-14)13-22-8-10-27-11-9-22/h1-7,12,18H,8-11,13H2,(H,21,24)/p+1/t18-/m1/s1