methyl 2-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 2-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 2-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]benzoate CAS Name: 2-[[(3S)-3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]benzoate Traditional Name: 2-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidine-1-carbonyl]benzoic acid methyl ester Formula: C24H29FN3O3+ MolecularWeight: 426.503763

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C(=O)N2CCCC(C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1C(=O)N2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H28FN3O3/c1-31-24(30)22-7-3-2-6-21(22)23(29)28-12-4-5-20(17-28)27-15-13-26(14-16-27)19-10-8-18(25)9-11-19/h2-3,6-11,20H,4-5,12-17H2,1H3/p+1/t20-/m0/s1