1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]pent-4-en-1-one

Systemtic Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]pent-4-en-1-one Openeye Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]pent-4-en-1-one CAS Name: 1-[(3S)-3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-4-penten-1-one IUPAC Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]pent-4-en-1-one Traditional Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidino]pent-4-en-1-one Formula: C20H29ClN3O+ MolecularWeight: 362.91676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClN3O/c1-2-3-9-20(25)24-10-5-8-19(16-24)23-13-11-22(12-14-23)18-7-4-6-17(21)15-18/h2,4,6-7,15,19H,1,3,5,8-14,16H2/p+1/t19-/m0/s1