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

Systemtic Name: 1-methyl-4,4-diphenyl-1-(3-phenylprop-2-ynyl)piperidin-1-ium iodide Openeye Name: 1-methyl-4,4-diphenyl-1-(3-phenylprop-2-ynyl)piperidin-1-ium iodide CAS Name: 1-methyl-4,4-diphenyl-1-(3-phenylprop-2-ynyl)piperidin-1-ium iodide IUPAC Name: 1-methyl-4,4-diphenyl-1-(3-phenylprop-2-ynyl)piperidin-1-ium iodide Traditional Name: 1-methyl-4,4-diphenyl-1-(3-phenylprop-2-ynyl)piperidin-1-ium iodide Formula: C27H28IN MolecularWeight: 493.42239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N.HI/c1-28(21-11-14-24-12-5-2-6-13-24)22-19-27(20-23-28,25-15-7-3-8-16-25)26-17-9-4-10-18-26;/h2-10,12-13,15-18H,19-23H2,1H3;1H/q+1;/p-1