methyl 5-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]-5-oxo-pentanoate CAS Name: 5-[(3S)-3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-5-oxopentanoate Traditional Name: 5-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidino]-5-keto-valeric acid methyl ester Formula: C21H31ClN3O3+ MolecularWeight: 408.94214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC(=O)N1CCCC(C1)[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC(=O)CCCC(=O)N1CCC[C@@H](C1)[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H30ClN3O3/c1-28-21(27)9-3-8-20(26)25-10-4-7-19(16-25)24-13-11-23(12-14-24)18-6-2-5-17(22)15-18/h2,5-6,15,19H,3-4,7-14,16H2,1H3/p+1/t19-/m0/s1