N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3,5-dimethoxy-benzamide

Systemtic Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3,5-dimethoxy-benzamide Openeye Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3,5-dimethoxy-benzamide CAS Name: N-[(2S)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-3,5-dimethoxybenzamide IUPAC Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-3,5-dimethoxybenzamide Traditional Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3,5-dimethoxy-benzamide Formula: C21H26FN2O4+ MolecularWeight: 389.440543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NCC(C2=CC=C(C=C2)F)[NH+]3CCOCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC[C@H](C2=CC=C(C=C2)F)[NH+]3CCOCC3)OC

InChI

InChI=1S/C21H25FN2O4/c1-26-18-11-16(12-19(13-18)27-2)21(25)23-14-20(24-7-9-28-10-8-24)15-3-5-17(22)6-4-15/h3-6,11-13,20H,7-10,14H2,1-2H3,(H,23,25)/p+1/t20-/m1/s1