(5-cyclopentyl-5-oxidanyl-5-phenyl-pent-2-ynyl)-methyl-(phenylmethyl)azanium chloride

Systemtic Name: (5-cyclopentyl-5-oxidanyl-5-phenyl-pent-2-ynyl)-methyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-(5-cyclopentyl-5-hydroxy-5-phenyl-pent-2-ynyl)-methyl-ammonium chloride CAS Name: (5-cyclopentyl-5-hydroxy-5-phenylpent-2-ynyl)-methyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-(5-cyclopentyl-5-hydroxy-5-phenylpent-2-ynyl)-methylazanium chloride Traditional Name: benzyl-(5-cyclopentyl-5-hydroxy-5-phenyl-pent-2-ynyl)-methyl-ammonium chloride Formula: C24H30ClNO MolecularWeight: 383.9541

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC#CCC(C1CCCC1)(C2=CC=CC=C2)O)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C[NH+](CC#CCC(C1CCCC1)(C2=CC=CC=C2)O)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C24H29NO.ClH/c1-25(20-21-12-4-2-5-13-21)19-11-10-18-24(26,23-16-8-9-17-23)22-14-6-3-7-15-22;/h2-7,12-15,23,26H,8-9,16-20H2,1H3;1H