4-[bis(4-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[bis(4-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[bis(4-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[bis(4-fluorophenyl)methyl]-N-[3-(1-indolyl)propyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[bis(4-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-[bis(4-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)piperazin-4-ium-1-carboxamide Formula: C29H31F2N4O+ MolecularWeight: 489.579446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)NCCCN4C=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)NCCCN4C=CC5=CC=CC=C54

InChI

InChI=1S/C29H30F2N4O/c30-25-10-6-23(7-11-25)28(24-8-12-26(31)13-9-24)34-18-20-35(21-19-34)29(36)32-15-3-16-33-17-14-22-4-1-2-5-27(22)33/h1-2,4-14,17,28H,3,15-16,18-21H2,(H,32,36)/p+1