3-[[(2S,3R)-2-tert-butyl-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]methyl]pentan-3-ol

Systemtic Name: 3-[[(2S,3R)-2-tert-butyl-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]methyl]pentan-3-ol Openeye Name: 3-[[(2S,3R)-1-benzyl-2-tert-butyl-pyrrolidin-1-ium-3-yl]methyl]pentan-3-ol CAS Name: 3-[[(2S,3R)-2-tert-butyl-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]methyl]-3-pentanol IUPAC Name: 3-[[(2S,3R)-1-benzyl-2-tert-butylpyrrolidin-1-ium-3-yl]methyl]pentan-3-ol Traditional Name: 3-[[(2S,3R)-1-benzyl-2-tert-butyl-pyrrolidin-1-ium-3-yl]methyl]pentan-3-ol Formula: C21H36NO+ MolecularWeight: 318.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC1CC[NH+](C1C(C)(C)C)CC2=CC=CC=C2)O

Isomeric SMILES

CCC(CC)(C[C@H]1CC[NH+]([C@@H]1C(C)(C)C)CC2=CC=CC=C2)O

InChI

InChI=1S/C21H35NO/c1-6-21(23,7-2)15-18-13-14-22(19(18)20(3,4)5)16-17-11-9-8-10-12-17/h8-12,18-19,23H,6-7,13-16H2,1-5H3/p+1/t18-,19+/m1/s1