(2S,3R,6R)-1-methyl-2,6-diphenyl-3-propyl-piperidin-1-ium-4-one

Systemtic Name: (2S,3R,6R)-1-methyl-2,6-diphenyl-3-propyl-piperidin-1-ium-4-one Openeye Name: (2S,3R,6R)-1-methyl-2,6-diphenyl-3-propyl-piperidin-1-ium-4-one CAS Name: (2S,3R,6R)-1-methyl-2,6-diphenyl-3-propyl-4-piperidin-1-iumone IUPAC Name: (2S,3R,6R)-1-methyl-2,6-diphenyl-3-propylpiperidin-1-ium-4-one Traditional Name: (2S,3R,6R)-1-methyl-2,6-diphenyl-3-propyl-piperidin-1-ium-4-one Formula: C21H26NO+ MolecularWeight: 308.43724

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C([NH+](C(CC1=O)C2=CC=CC=C2)C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO/c1-3-10-18-20(23)15-19(16-11-6-4-7-12-16)22(2)21(18)17-13-8-5-9-14-17/h4-9,11-14,18-19,21H,3,10,15H2,1-2H3/p+1/t18-,19+,21+/m0/s1