(2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide

Systemtic Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide Openeye Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(isopropylcarbamoyl)propanamide CAS Name: (2S)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-[oxo-(propan-2-ylamino)methyl]propanamide IUPAC Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)propanamide Traditional Name: (2S)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(isopropylcarbamoyl)propionamide Formula: C17H26FN4O2+ MolecularWeight: 337.412343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)[NH+]1CCN(CC1)C2=CC=C(C=C2)F

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)[NH+]1CCN(CC1)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H25FN4O2/c1-12(2)19-17(24)20-16(23)13(3)21-8-10-22(11-9-21)15-6-4-14(18)5-7-15/h4-7,12-13H,8-11H2,1-3H3,(H2,19,20,23,24)/p+1/t13-/m0/s1