N-(5-chloranyl-2-methyl-phenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(5-chloro-2-methylphenyl)-4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(5-chloro-2-methylphenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-4-(3-fluorobenzyl)piperazin-4-ium-1-carboxamide Formula: C19H22ClFN3O+ MolecularWeight: 362.848883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C19H21ClFN3O/c1-14-5-6-16(20)12-18(14)22-19(25)24-9-7-23(8-10-24)13-15-3-2-4-17(21)11-15/h2-6,11-12H,7-10,13H2,1H3,(H,22,25)/p+1