N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-methyl-4-nitro-benzamide CAS Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-methyl-4-nitro-benzamide Formula: C20H23FN3O4+ MolecularWeight: 388.412723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC(C2=CC=C(C=C2)F)[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC[C@H](C2=CC=C(C=C2)F)[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H22FN3O4/c1-14-12-16(4-7-18(14)24(26)27)20(25)22-13-19(23-8-10-28-11-9-23)15-2-5-17(21)6-3-15/h2-7,12,19H,8-11,13H2,1H3,(H,22,25)/p+1/t19-/m1/s1