methyl (2R)-2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C19H29FN3O3+ MolecularWeight: 366.450263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H28FN3O3/c1-14(2)12-17(19(25)26-3)21-18(24)13-22-8-10-23(11-9-22)16-6-4-15(20)5-7-16/h4-7,14,17H,8-13H2,1-3H3,(H,21,24)/p+1/t17-/m1/s1