4-(4-fluorophenyl)carbonyl-4-[(2-fluorophenyl)methyl]-3-piperidin-1-yl-1-propyl-piperazin-4-ium-2,6-dione

Systemtic Name: 4-(4-fluorophenyl)carbonyl-4-[(2-fluorophenyl)methyl]-3-piperidin-1-yl-1-propyl-piperazin-4-ium-2,6-dione Openeye Name: 4-(4-fluorobenzoyl)-4-[(2-fluorophenyl)methyl]-3-(1-piperidyl)-1-propyl-piperazin-4-ium-2,6-dione CAS Name: 4-[(2-fluorophenyl)methyl]-4-[(4-fluorophenyl)-oxomethyl]-3-(1-piperidinyl)-1-propylpiperazin-4-ium-2,6-dione IUPAC Name: 4-(4-fluorobenzoyl)-4-[(2-fluorophenyl)methyl]-3-piperidin-1-yl-1-propylpiperazin-4-ium-2,6-dione Traditional Name: 4-(4-fluorobenzoyl)-4-(2-fluorobenzyl)-3-piperidino-1-propyl-piperazin-4-ium-2,6-quinone Formula: C26H30F2N3O3+ MolecularWeight: 470.531506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C[N+](C(C1=O)N2CCCCC2)(CC3=CC=CC=C3F)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCCN1C(=O)C[N+](C(C1=O)N2CCCCC2)(CC3=CC=CC=C3F)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H30F2N3O3/c1-2-14-30-23(32)18-31(17-20-8-4-5-9-22(20)28,26(34)19-10-12-21(27)13-11-19)24(25(30)33)29-15-6-3-7-16-29/h4-5,8-13,24H,2-3,6-7,14-18H2,1H3/q+1