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

Systemtic Name: 1-phenyl-4-[3-[(2R)-2,6,6-trimethyloxan-2-yl]prop-2-ynyl]piperazin-4-ium Openeye Name: 1-phenyl-4-[3-[(2R)-2,6,6-trimethyltetrahydropyran-2-yl]prop-2-ynyl]piperazin-4-ium CAS Name: 1-phenyl-4-[3-[(2R)-2,6,6-trimethyl-2-oxanyl]prop-2-ynyl]piperazin-4-ium IUPAC Name: 1-phenyl-4-[3-[(2R)-2,6,6-trimethyloxan-2-yl]prop-2-ynyl]piperazin-4-ium Traditional Name: 1-phenyl-4-[3-[(2R)-2,6,6-trimethyltetrahydropyran-2-yl]prop-2-ynyl]piperazin-4-ium Formula: C21H31N2O+ MolecularWeight: 327.48364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O/c1-20(2)11-7-12-21(3,24-20)13-8-14-22-15-17-23(18-16-22)19-9-5-4-6-10-19/h4-6,9-10H,7,11-12,14-18H2,1-3H3/p+1/t21-/m1/s1