N-(3-azanyl-4-ethyl-phenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-azanyl-4-ethyl-phenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-amino-4-ethyl-phenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-amino-4-ethylphenyl)-2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-amino-4-ethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-amino-4-ethyl-phenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C20H26FN4O+ MolecularWeight: 357.445043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)N

Isomeric SMILES

CCC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)N

InChI

InChI=1S/C20H25FN4O/c1-2-15-3-6-17(13-19(15)22)23-20(26)14-24-9-11-25(12-10-24)18-7-4-16(21)5-8-18/h3-8,13H,2,9-12,14,22H2,1H3,(H,23,26)/p+1