2-chloranyl-1-[4-[(1S)-1-(3,4-dimethylphenyl)ethyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-chloranyl-1-[4-[(1S)-1-(3,4-dimethylphenyl)ethyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-chloro-1-[4-[(1S)-1-(3,4-dimethylphenyl)ethyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-chloro-1-[4-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-chloro-1-[4-[(1S)-1-(3,4-dimethylphenyl)ethyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-chloro-1-[4-[(1S)-1-(3,4-dimethylphenyl)ethyl]piperazin-4-ium-1-yl]ethanone Formula: C16H24ClN2O+ MolecularWeight: 295.82756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)[NH+]2CCN(CC2)C(=O)CCl)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C)[NH+]2CCN(CC2)C(=O)CCl)C

InChI

InChI=1S/C16H23ClN2O/c1-12-4-5-15(10-13(12)2)14(3)18-6-8-19(9-7-18)16(20)11-17/h4-5,10,14H,6-9,11H2,1-3H3/p+1/t14-/m0/s1