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

Systemtic Name: (2R)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(3S)-3-methylpent-1-yn-3-yl]oxy-propan-2-ol Openeye Name: (2R)-1-[(1S)-1-ethyl-1-methyl-prop-2-ynoxy]-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2R)-1-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-3-[(3S)-3-methylpent-1-yn-3-yl]oxy-2-propanol IUPAC Name: (2R)-1-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-3-[(3S)-3-methylpent-1-yn-3-yl]oxypropan-2-ol Traditional Name: (2R)-1-[(1S)-1-ethyl-1-methyl-prop-2-ynoxy]-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C20H31N2O3+ MolecularWeight: 347.47174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#C)OCC(C[NH+]1CCN(CC1)C2=CC=C(C=C2)OC)O

Isomeric SMILES

CC[C@@](C)(C#C)OC[C@@H](C[NH+]1CCN(CC1)C2=CC=C(C=C2)OC)O

InChI

InChI=1S/C20H30N2O3/c1-5-20(3,6-2)25-16-18(23)15-21-11-13-22(14-12-21)17-7-9-19(24-4)10-8-17/h1,7-10,18,23H,6,11-16H2,2-4H3/p+1/t18-,20-/m1/s1