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

Systemtic Name: 1-[2-[(4S)-2,2-dimethyl-4-phenyl-oxan-4-yl]ethyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[2-[(4S)-2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl]ethyl]-4-methyl-piperazin-4-ium CAS Name: 1-[2-[(4S)-2,2-dimethyl-4-phenyl-4-oxanyl]ethyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[2-[(4S)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-4-methylpiperazin-4-ium Traditional Name: 1-[2-[(4S)-2,2-dimethyl-4-phenyl-tetrahydropyran-4-yl]ethyl]-4-methyl-piperazin-4-ium Formula: C20H33N2O+ MolecularWeight: 317.48882

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)(CCN2CC[NH+](CC2)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1(C[C@@](CCO1)(CCN2CC[NH+](CC2)C)C3=CC=CC=C3)C

InChI

InChI=1S/C20H32N2O/c1-19(2)17-20(10-16-23-19,18-7-5-4-6-8-18)9-11-22-14-12-21(3)13-15-22/h4-8H,9-17H2,1-3H3/p+1/t20-/m0/s1