(2S)-1-(1-ethynylcyclohexyl)oxy-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(1-ethynylcyclohexyl)oxy-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(1-ethynylcyclohexoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(1-ethynylcyclohexyl)oxy-3-(4-methyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(1-ethynylcyclohexyl)oxy-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(1-ethynylcyclohexoxy)-3-(4-methylpiperazin-4-ium-1-yl)propan-2-ol Formula: C16H29N2O2+ MolecularWeight: 281.41366

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC(COC2(CCCCC2)C#C)O

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@@H](COC2(CCCCC2)C#C)O

InChI

InChI=1S/C16H28N2O2/c1-3-16(7-5-4-6-8-16)20-14-15(19)13-18-11-9-17(2)10-12-18/h1,15,19H,4-14H2,2H3/p+1/t15-/m0/s1