1-[1-(4-chlorophenyl)-5-(4-piperidin-1-ium-1-ylpiperidin-1-yl)-1,2,3-triazol-4-yl]ethanone

Systemtic Name: 1-[1-(4-chlorophenyl)-5-(4-piperidin-1-ium-1-ylpiperidin-1-yl)-1,2,3-triazol-4-yl]ethanone Openeye Name: 1-[1-(4-chlorophenyl)-5-(4-piperidin-1-ium-1-yl-1-piperidyl)triazol-4-yl]ethanone CAS Name: 1-[1-(4-chlorophenyl)-5-[4-(1-piperidin-1-iumyl)-1-piperidinyl]-4-triazolyl]ethanone IUPAC Name: 1-[1-(4-chlorophenyl)-5-(4-piperidin-1-ium-1-ylpiperidin-1-yl)triazol-4-yl]ethanone Traditional Name: 1-[1-(4-chlorophenyl)-5-(4-piperidin-1-ium-1-ylpiperidino)triazol-4-yl]ethanone Formula: C20H27ClN5O+ MolecularWeight: 388.91428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N(N=N1)C2=CC=C(C=C2)Cl)N3CCC(CC3)[NH+]4CCCCC4

Isomeric SMILES

CC(=O)C1=C(N(N=N1)C2=CC=C(C=C2)Cl)N3CCC(CC3)[NH+]4CCCCC4

InChI

InChI=1S/C20H26ClN5O/c1-15(27)19-20(26(23-22-19)18-7-5-16(21)6-8-18)25-13-9-17(10-14-25)24-11-3-2-4-12-24/h5-8,17H,2-4,9-14H2,1H3/p+1