1-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone

Systemtic Name: 1-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Openeye Name: 1-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone CAS Name: 1-[4-[(2S)-butan-2-yl]-1-piperazin-4-iumyl]-2,2-diphenylethanone IUPAC Name: 1-[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-2,2-diphenylethanone Traditional Name: 1-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]-2,2-diphenyl-ethanone Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCN(CC1)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)[NH+]1CCN(CC1)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O/c1-3-18(2)23-14-16-24(17-15-23)22(25)21(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,18,21H,3,14-17H2,1-2H3/p+1/t18-/m0/s1