N-(4-fluorophenyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(4-fluorophenyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-(4-fluorophenyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(4-fluorophenyl)-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-fluorophenyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(4-fluorophenyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-4-ium-1-carboxamide Formula: C17H27FN4O+2 MolecularWeight: 322.420883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC[NH+]2CCN(CC2)C(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1CC[NH+](C1)CC[NH+]2CCN(CC2)C(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C17H25FN4O/c18-15-3-5-16(6-4-15)19-17(23)22-13-11-21(12-14-22)10-9-20-7-1-2-8-20/h3-6H,1-2,7-14H2,(H,19,23)/p+2