1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]carbonylcyclopropane-1-carboxamide

Systemtic Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]carbonylcyclopropane-1-carboxamide Openeye Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]cyclopropanecarboxamide CAS Name: 1-[[(3S)-3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-oxomethyl]-1-cyclopropanecarboxamide IUPAC Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]cyclopropane-1-carboxamide Traditional Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]cyclopropanecarboxamide Formula: C20H28FN4O2+ MolecularWeight: 375.460323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2(CC2)C(=O)N)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2(CC2)C(=O)N)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H27FN4O2/c21-15-3-5-16(6-4-15)23-10-12-24(13-11-23)17-2-1-9-25(14-17)19(27)20(7-8-20)18(22)26/h3-6,17H,1-2,7-14H2,(H2,22,26)/p+1/t17-/m0/s1