(2R)-1-[(3S)-3-methylpent-1-yn-3-yl]oxy-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-[(3S)-3-methylpent-1-yn-3-yl]oxy-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-[(1S)-1-ethyl-1-methyl-prop-2-ynoxy]propan-2-ol CAS Name: (2R)-1-[(3S)-3-methylpent-1-yn-3-yl]oxy-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propanol IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-[(3S)-3-methylpent-1-yn-3-yl]oxypropan-2-ol Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-[(1S)-1-ethyl-1-methyl-prop-2-ynoxy]propan-2-ol Formula: C20H31N2O2+ MolecularWeight: 331.47234

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#C)OCC(CN1CC[NH+](CC1)CC2=CC=CC=C2)O

Isomeric SMILES

CC[C@@](C)(C#C)OC[C@@H](CN1CC[NH+](CC1)CC2=CC=CC=C2)O

InChI

InChI=1S/C20H30N2O2/c1-4-20(3,5-2)24-17-19(23)16-22-13-11-21(12-14-22)15-18-9-7-6-8-10-18/h1,6-10,19,23H,5,11-17H2,2-3H3/p+1/t19-,20-/m1/s1