1-(2-methoxyphenyl)-4-[3-[(2R)-2,6,6-trimethyloxan-2-yl]prop-2-ynyl]piperazin-4-ium

Systemtic Name: 1-(2-methoxyphenyl)-4-[3-[(2R)-2,6,6-trimethyloxan-2-yl]prop-2-ynyl]piperazin-4-ium Openeye Name: 1-(2-methoxyphenyl)-4-[3-[(2R)-2,6,6-trimethyltetrahydropyran-2-yl]prop-2-ynyl]piperazin-4-ium CAS Name: 1-(2-methoxyphenyl)-4-[3-[(2R)-2,6,6-trimethyl-2-oxanyl]prop-2-ynyl]piperazin-4-ium IUPAC Name: 1-(2-methoxyphenyl)-4-[3-[(2R)-2,6,6-trimethyloxan-2-yl]prop-2-ynyl]piperazin-4-ium Traditional Name: 1-(2-methoxyphenyl)-4-[3-[(2R)-2,6,6-trimethyltetrahydropyran-2-yl]prop-2-ynyl]piperazin-4-ium Formula: C22H33N2O2+ MolecularWeight: 357.50962

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(O1)(C)C#CC[NH+]2CCN(CC2)C3=CC=CC=C3OC)C

Isomeric SMILES

C[C@@]1(CCCC(O1)(C)C)C#CC[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C22H32N2O2/c1-21(2)11-7-12-22(3,26-21)13-8-14-23-15-17-24(18-16-23)19-9-5-6-10-20(19)25-4/h5-6,9-10H,7,11-12,14-18H2,1-4H3/p+1/t22-/m1/s1