[(5S)-5-cyclopentyl-5-oxidanyl-5-phenyl-pent-2-ynyl]-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: [(5S)-5-cyclopentyl-5-oxidanyl-5-phenyl-pent-2-ynyl]-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-[(5S)-5-cyclopentyl-5-hydroxy-5-phenyl-pent-2-ynyl]-isopropyl-ammonium CAS Name: [(5S)-5-cyclopentyl-5-hydroxy-5-phenylpent-2-ynyl]-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[(5S)-5-cyclopentyl-5-hydroxy-5-phenylpent-2-ynyl]-propan-2-ylazanium Traditional Name: benzyl-[(5S)-5-cyclopentyl-5-hydroxy-5-phenyl-pent-2-ynyl]-isopropyl-ammonium Formula: C26H34NO+ MolecularWeight: 376.55426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[NH+](CC#CC[C@](C1CCCC1)(C2=CC=CC=C2)O)CC3=CC=CC=C3

InChI

InChI=1S/C26H33NO/c1-22(2)27(21-23-13-5-3-6-14-23)20-12-11-19-26(28,25-17-9-10-18-25)24-15-7-4-8-16-24/h3-8,13-16,22,25,28H,9-10,17-21H2,1-2H3/p+1/t26-/m1/s1