N-[(4-fluorophenyl)methyl]-N-(2-piperazine-1,4-diium-1-ylethyl)cyclohexanecarboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-N-(2-piperazine-1,4-diium-1-ylethyl)cyclohexanecarboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-N-(2-piperazine-1,4-diium-1-ylethyl)cyclohexanecarboxamide CAS Name: N-[(4-fluorophenyl)methyl]-N-[2-(1-piperazine-1,4-diiumyl)ethyl]cyclohexanecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-N-(2-piperazine-1,4-diium-1-ylethyl)cyclohexanecarboxamide Traditional Name: N-(4-fluorobenzyl)-N-(2-piperazine-1,4-diium-1-ylethyl)cyclohexanecarboxamide Formula: C20H32FN3O+2 MolecularWeight: 349.485983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N(CC[NH+]2CC[NH2+]CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

C1CCC(CC1)C(=O)N(CC[NH+]2CC[NH2+]CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H30FN3O/c21-19-8-6-17(7-9-19)16-24(15-14-23-12-10-22-11-13-23)20(25)18-4-2-1-3-5-18/h6-9,18,22H,1-5,10-16H2/p+2