2-chloranyl-1-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-chloranyl-1-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-chloro-1-[4-[(1S)-1-(4-isopropylphenyl)ethyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-chloro-1-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-chloro-1-[4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-chloro-1-[4-[(1S)-1-p-cumenylethyl]piperazin-4-ium-1-yl]ethanone Formula: C17H26ClN2O+ MolecularWeight: 309.85414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN2O/c1-13(2)15-4-6-16(7-5-15)14(3)19-8-10-20(11-9-19)17(21)12-18/h4-7,13-14H,8-12H2,1-3H3/p+1/t14-/m0/s1