4-[4-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]methyl]phenyl]but-3-yn-1-ol

Systemtic Name: 4-[4-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]methyl]phenyl]but-3-yn-1-ol Openeye Name: 4-[4-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]methyl]phenyl]but-3-yn-1-ol CAS Name: 4-[4-[[(3S)-3-(2-hydroxyethyl)-4-methyl-1-piperazin-4-iumyl]methyl]phenyl]-3-butyn-1-ol IUPAC Name: 4-[4-[[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-4-ium-1-yl]methyl]phenyl]but-3-yn-1-ol Traditional Name: 4-[4-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]methyl]phenyl]but-3-yn-1-ol Formula: C18H27N2O2+ MolecularWeight: 303.41918

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=CC=C(C=C2)C#CCCO

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CCO)CC2=CC=C(C=C2)C#CCCO

InChI

InChI=1S/C18H26N2O2/c1-19-10-11-20(15-18(19)9-13-22)14-17-7-5-16(6-8-17)4-2-3-12-21/h5-8,18,21-22H,3,9-15H2,1H3/p+1/t18-/m0/s1