(4-cyclohexyl-4-oxidanyl-4-phenyl-but-2-ynyl)-bis(2-hydroxyethyl)azanium

Systemtic Name: (4-cyclohexyl-4-oxidanyl-4-phenyl-but-2-ynyl)-bis(2-hydroxyethyl)azanium Openeye Name: (4-cyclohexyl-4-hydroxy-4-phenyl-but-2-ynyl)-bis(2-hydroxyethyl)ammonium CAS Name: (4-cyclohexyl-4-hydroxy-4-phenylbut-2-ynyl)-bis(2-hydroxyethyl)ammonium IUPAC Name: (4-cyclohexyl-4-hydroxy-4-phenylbut-2-ynyl)-bis(2-hydroxyethyl)azanium Traditional Name: (4-cyclohexyl-4-hydroxy-4-phenyl-but-2-ynyl)-bis(2-hydroxyethyl)ammonium Formula: C20H30NO3+ MolecularWeight: 332.4571

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C#CC[NH+](CCO)CCO)(C2=CC=CC=C2)O

Isomeric SMILES

C1CCC(CC1)C(C#CC[NH+](CCO)CCO)(C2=CC=CC=C2)O

InChI

InChI=1S/C20H29NO3/c22-16-14-21(15-17-23)13-7-12-20(24,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1,3-4,8-9,19,22-24H,2,5-6,10-11,13-17H2/p+1