1-[2-[(4R)-2,2-dimethyl-4-phenyl-oxan-4-yl]ethyl]-4-phenyl-piperazin-1-ium

Systemtic Name: 1-[2-[(4R)-2,2-dimethyl-4-phenyl-oxan-4-yl]ethyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[2-[(4R)-2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl]ethyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[2-[(4R)-2,2-dimethyl-4-phenyl-4-oxanyl]ethyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[2-[(4R)-2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl]ethyl]-4-phenyl-piperazin-1-ium Formula: C25H35N2O+ MolecularWeight: 379.5582

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)(CC[NH+]2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1(C[C@](CCO1)(CC[NH+]2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H34N2O/c1-24(2)21-25(14-20-28-24,22-9-5-3-6-10-22)13-15-26-16-18-27(19-17-26)23-11-7-4-8-12-23/h3-12H,13-21H2,1-2H3/p+1/t25-/m1/s1