1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]but-2-yn-1-one

Systemtic Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]but-2-yn-1-one Openeye Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]but-2-yn-1-one CAS Name: 1-[(3S)-3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-2-butyn-1-one IUPAC Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]but-2-yn-1-one Traditional Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidino]but-2-yn-1-one Formula: C19H25ClN3O+ MolecularWeight: 346.8743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN3O/c1-2-5-19(24)23-9-4-8-18(15-23)22-12-10-21(11-13-22)17-7-3-6-16(20)14-17/h3,6-7,14,18H,4,8-13,15H2,1H3/p+1/t18-/m0/s1