(1R)-1-cyclopentyl-5-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pent-3-yn-1-ol

Systemtic Name: (1R)-1-cyclopentyl-5-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pent-3-yn-1-ol Openeye Name: (1R)-1-cyclopentyl-5-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pent-3-yn-1-ol CAS Name: (1R)-1-cyclopentyl-5-(4-methyl-1-piperazin-4-iumyl)-1-phenyl-3-pentyn-1-ol IUPAC Name: (1R)-1-cyclopentyl-5-(4-methylpiperazin-4-ium-1-yl)-1-phenylpent-3-yn-1-ol Traditional Name: (1R)-1-cyclopentyl-5-(4-methylpiperazin-4-ium-1-yl)-1-phenyl-pent-3-yn-1-ol Formula: C21H31N2O+ MolecularWeight: 327.48364

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC#CCC(C2CCCC2)(C3=CC=CC=C3)O

Isomeric SMILES

C[NH+]1CCN(CC1)CC#CC[C@@](C2CCCC2)(C3=CC=CC=C3)O

InChI

InChI=1S/C21H30N2O/c1-22-15-17-23(18-16-22)14-8-7-13-21(24,20-11-5-6-12-20)19-9-3-2-4-10-19/h2-4,9-10,20,24H,5-6,11-18H2,1H3/p+1/t21-/m0/s1