4,4-diphenyl-6-piperidin-1-ium-1-yl-hexan-3-one bromide

Systemtic Name: 4,4-diphenyl-6-piperidin-1-ium-1-yl-hexan-3-one bromide Openeye Name: 4,4-diphenyl-6-piperidin-1-ium-1-yl-hexan-3-one bromide CAS Name: 4,4-diphenyl-6-(1-piperidin-1-iumyl)-3-hexanone bromide IUPAC Name: 4,4-diphenyl-6-piperidin-1-ium-1-ylhexan-3-one bromide Traditional Name: 4,4-diphenyl-6-piperidin-1-ium-1-yl-hexan-3-one bromide Formula: C23H30BrNO MolecularWeight: 416.3944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC[NH+]1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CCC(=O)C(CC[NH+]1CCCCC1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C23H29NO.BrH/c1-2-22(25)23(20-12-6-3-7-13-20,21-14-8-4-9-15-21)16-19-24-17-10-5-11-18-24;/h3-4,6-9,12-15H,2,5,10-11,16-19H2,1H3;1H