1-[4-[4-[(2R)-2,6-dimethylhept-5-enyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(2R)-2,6-dimethylhept-5-enyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(2R)-2,6-dimethylhept-5-enyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(2R)-2,6-dimethylhept-5-enyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(2R)-2,6-dimethylhept-5-enyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(2R)-2,6-dimethylhept-5-enyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C21H33N2O+ MolecularWeight: 329.49952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O/c1-17(2)6-5-7-18(3)16-22-12-14-23(15-13-22)21-10-8-20(9-11-21)19(4)24/h6,8-11,18H,5,7,12-16H2,1-4H3/p+1/t18-/m1/s1