[1-[(4R)-4-cyclopentyl-4-oxidanyl-4-phenyl-but-2-ynyl]piperidin-1-ium-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [1-[(4R)-4-cyclopentyl-4-oxidanyl-4-phenyl-but-2-ynyl]piperidin-1-ium-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [1-[(4R)-4-cyclopentyl-4-hydroxy-4-phenyl-but-2-ynyl]piperidin-1-ium-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [1-[(4R)-4-cyclopentyl-4-hydroxy-4-phenylbut-2-ynyl]-1-piperidin-1-iumyl]methyl ester IUPAC Name: [1-[(4R)-4-cyclopentyl-4-hydroxy-4-phenylbut-2-ynyl]piperidin-1-ium-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [1-[(4R)-4-cyclopentyl-4-hydroxy-4-phenyl-but-2-ynyl]piperidin-1-ium-1-yl]methyl ester Formula: C26H38NO3+ MolecularWeight: 412.58482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC[N+]1(CCCCC1)CC#CC(C2CCCC2)(C3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C)C(=O)OC[N+]1(CCCCC1)CC#C[C@@](C2CCCC2)(C3=CC=CC=C3)O

InChI

InChI=1S/C26H38NO3/c1-25(2,3)24(28)30-21-27(18-10-5-11-19-27)20-12-17-26(29,23-15-8-9-16-23)22-13-6-4-7-14-22/h4,6-7,13-14,23,29H,5,8-11,15-16,18-21H2,1-3H3/q+1/t26-/m0/s1