(2S)-1-piperazin-1-yl-2-piperidin-1-ium-1-yl-2-(4-propan-2-ylphenyl)ethanone

Systemtic Name: (2S)-1-piperazin-1-yl-2-piperidin-1-ium-1-yl-2-(4-propan-2-ylphenyl)ethanone Openeye Name: (2S)-2-(4-isopropylphenyl)-1-piperazin-1-yl-2-piperidin-1-ium-1-yl-ethanone CAS Name: (2S)-1-(1-piperazinyl)-2-(1-piperidin-1-iumyl)-2-(4-propan-2-ylphenyl)ethanone IUPAC Name: (2S)-1-piperazin-1-yl-2-piperidin-1-ium-1-yl-2-(4-propan-2-ylphenyl)ethanone Traditional Name: (2S)-2-p-cumenyl-1-piperazino-2-piperidin-1-ium-1-yl-ethanone Formula: C20H32N3O+ MolecularWeight: 330.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C(=O)N2CCNCC2)[NH+]3CCCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@@H](C(=O)N2CCNCC2)[NH+]3CCCCC3

InChI

InChI=1S/C20H31N3O/c1-16(2)17-6-8-18(9-7-17)19(22-12-4-3-5-13-22)20(24)23-14-10-21-11-15-23/h6-9,16,19,21H,3-5,10-15H2,1-2H3/p+1/t19-/m0/s1