N-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-4-(4-fluorobenzyl)piperazin-4-ium-1-carboxamide Formula: C20H25FN3O+ MolecularWeight: 342.430403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN3O/c1-15-11-16(2)13-19(12-15)22-20(25)24-9-7-23(8-10-24)14-17-3-5-18(21)6-4-17/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,25)/p+1