4,4-diphenyl-1-(3-phenylprop-2-ynyl)-1-propyl-piperidin-1-ium

Systemtic Name: 4,4-diphenyl-1-(3-phenylprop-2-ynyl)-1-propyl-piperidin-1-ium Openeye Name: 4,4-diphenyl-1-(3-phenylprop-2-ynyl)-1-propyl-piperidin-1-ium CAS Name: 4,4-diphenyl-1-(3-phenylprop-2-ynyl)-1-propylpiperidin-1-ium IUPAC Name: 4,4-diphenyl-1-(3-phenylprop-2-ynyl)-1-propylpiperidin-1-ium Traditional Name: 4,4-diphenyl-1-(3-phenylprop-2-ynyl)-1-propyl-piperidin-1-ium Formula: C29H32N+ MolecularWeight: 394.57108

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3)CC#CC4=CC=CC=C4

Isomeric SMILES

CCC[N+]1(CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3)CC#CC4=CC=CC=C4

InChI

InChI=1S/C29H32N/c1-2-22-30(23-12-15-26-13-6-3-7-14-26)24-20-29(21-25-30,27-16-8-4-9-17-27)28-18-10-5-11-19-28/h3-11,13-14,16-19H,2,20-25H2,1H3/q+1