[(5S)-5-cyclopentyl-5-oxidanyl-5-phenyl-pent-2-ynyl]-bis(2-hydroxyethyl)azanium

Systemtic Name: [(5S)-5-cyclopentyl-5-oxidanyl-5-phenyl-pent-2-ynyl]-bis(2-hydroxyethyl)azanium Openeye Name: [(5S)-5-cyclopentyl-5-hydroxy-5-phenyl-pent-2-ynyl]-bis(2-hydroxyethyl)ammonium CAS Name: [(5S)-5-cyclopentyl-5-hydroxy-5-phenylpent-2-ynyl]-bis(2-hydroxyethyl)ammonium IUPAC Name: [(5S)-5-cyclopentyl-5-hydroxy-5-phenylpent-2-ynyl]-bis(2-hydroxyethyl)azanium Traditional Name: [(5S)-5-cyclopentyl-5-hydroxy-5-phenyl-pent-2-ynyl]-bis(2-hydroxyethyl)ammonium Formula: C20H30NO3+ MolecularWeight: 332.4571

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(CC#CC[NH+](CCO)CCO)(C2=CC=CC=C2)O

Isomeric SMILES

C1CCC(C1)[C@@](CC#CC[NH+](CCO)CCO)(C2=CC=CC=C2)O

InChI

InChI=1S/C20H29NO3/c22-16-14-21(15-17-23)13-7-6-12-20(24,19-10-4-5-11-19)18-8-2-1-3-9-18/h1-3,8-9,19,22-24H,4-5,10-17H2/p+1/t20-/m1/s1