[4-[3-(1-oxidanylcyclohexyl)prop-2-ynyl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[3-(1-oxidanylcyclohexyl)prop-2-ynyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[3-(1-hydroxycyclohexyl)prop-2-ynyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[3-(1-hydroxycyclohexyl)prop-2-ynyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[3-(1-hydroxycyclohexyl)prop-2-ynyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[3-(1-hydroxycyclohexyl)prop-2-ynyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C20H27N2O2+ MolecularWeight: 327.44058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#CC[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)O

Isomeric SMILES

C1CCC(CC1)(C#CC[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C20H26N2O2/c23-19(18-8-3-1-4-9-18)22-16-14-21(15-17-22)13-7-12-20(24)10-5-2-6-11-20/h1,3-4,8-9,24H,2,5-6,10-11,13-17H2/p+1