[4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [4-[2-(1-oxidanylcyclohexyl)ethynyl]phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [4-[2-(1-hydroxycyclohexyl)ethynyl]phenyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)O

Isomeric SMILES

C1CCC(CC1)(C#CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)O

InChI

InChI=1S/C24H27N3O2/c28-23(27-18-16-26(17-19-27)22-6-2-5-15-25-22)21-9-7-20(8-10-21)11-14-24(29)12-3-1-4-13-24/h2,5-10,15,29H,1,3-4,12-13,16-19H2/p+1