1-(4-cyclohexyl-4,4-diphenyl-but-2-ynyl)piperidin-1-ium

Systemtic Name: 1-(4-cyclohexyl-4,4-diphenyl-but-2-ynyl)piperidin-1-ium Openeye Name: 1-(4-cyclohexyl-4,4-diphenyl-but-2-ynyl)piperidin-1-ium CAS Name: 1-(4-cyclohexyl-4,4-diphenylbut-2-ynyl)piperidin-1-ium IUPAC Name: 1-(4-cyclohexyl-4,4-diphenylbut-2-ynyl)piperidin-1-ium Traditional Name: 1-(4-cyclohexyl-4,4-diphenyl-but-2-ynyl)piperidin-1-ium Formula: C27H34N+ MolecularWeight: 372.56556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C#CC[NH+]2CCCCC2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(C#CC[NH+]2CCCCC2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H33N/c1-5-14-24(15-6-1)27(25-16-7-2-8-17-25,26-18-9-3-10-19-26)20-13-23-28-21-11-4-12-22-28/h1-2,5-8,14-17,26H,3-4,9-12,18-19,21-23H2/p+1