1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]pentane-1,4-dione

Systemtic Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]pentane-1,4-dione Openeye Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]pentane-1,4-dione CAS Name: 1-[(3S)-3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]pentane-1,4-dione IUPAC Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]pentane-1,4-dione Traditional Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidino]pentane-1,4-dione Formula: C20H29ClN3O2+ MolecularWeight: 378.91616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClN3O2/c1-16(25)7-8-20(26)24-9-3-6-19(15-24)23-12-10-22(11-13-23)18-5-2-4-17(21)14-18/h2,4-5,14,19H,3,6-13,15H2,1H3/p+1/t19-/m0/s1