N-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(2,4-dimethylphenyl)-4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(2,4-dimethylphenyl)-4-(3-fluorobenzyl)piperazin-4-ium-1-carboxamide Formula: C20H25FN3O+ MolecularWeight: 342.430403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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