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

Systemtic Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-phenyl-prop-2-yn-1-one Openeye Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]-3-phenyl-prop-2-yn-1-one CAS Name: 1-[(3S)-3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-3-phenyl-2-propyn-1-one IUPAC Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-phenylprop-2-yn-1-one Traditional Name: 1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]piperidino]-3-phenyl-prop-2-yn-1-one Formula: C24H27ClN3O+ MolecularWeight: 408.94368

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C#CC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C#CC2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H26ClN3O/c25-21-8-4-9-22(18-21)26-14-16-27(17-15-26)23-10-5-13-28(19-23)24(29)12-11-20-6-2-1-3-7-20/h1-4,6-9,18,23H,5,10,13-17,19H2/p+1/t23-/m0/s1