N-[(2-fluorophenyl)methyl]-4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(2-fluorophenyl)methyl]-4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxamide Openeye Name: N-[(2-fluorophenyl)methyl]-4-[2-(4-methylanilino)-2-oxo-ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-[(2-fluorophenyl)methyl]-4-[2-(4-methylanilino)-2-oxoethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(2-fluorophenyl)methyl]-4-[2-(4-methylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(2-fluorobenzyl)-4-[2-keto-2-(p-toluidino)ethyl]piperazin-4-ium-1-carboxamide Formula: C21H26FN4O2+ MolecularWeight: 385.455143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)NCC3=CC=CC=C3F

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)NCC3=CC=CC=C3F

InChI

InChI=1S/C21H25FN4O2/c1-16-6-8-18(9-7-16)24-20(27)15-25-10-12-26(13-11-25)21(28)23-14-17-4-2-3-5-19(17)22/h2-9H,10-15H2,1H3,(H,23,28)(H,24,27)/p+1