(2S)-2-[(2R,5S)-2-methyl-5-(2-methylprop-2-enyl)pyrrolidin-1-ium-1-yl]-2-phenyl-ethanol

Systemtic Name: (2S)-2-[(2R,5S)-2-methyl-5-(2-methylprop-2-enyl)pyrrolidin-1-ium-1-yl]-2-phenyl-ethanol Openeye Name: (2S)-2-[(2R,5S)-2-methyl-5-(2-methylallyl)pyrrolidin-1-ium-1-yl]-2-phenyl-ethanol CAS Name: (2S)-2-[(2R,5S)-2-methyl-5-(2-methylprop-2-enyl)-1-pyrrolidin-1-iumyl]-2-phenylethanol IUPAC Name: (2S)-2-[(2R,5S)-2-methyl-5-(2-methylprop-2-enyl)pyrrolidin-1-ium-1-yl]-2-phenylethanol Traditional Name: (2S)-2-[(2R,5S)-2-methyl-5-(2-methylallyl)pyrrolidin-1-ium-1-yl]-2-phenyl-ethanol Formula: C17H26NO+ MolecularWeight: 260.39444

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC([NH+]1C(CO)C2=CC=CC=C2)CC(=C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([NH+]1[C@H](CO)C2=CC=CC=C2)CC(=C)C

InChI

InChI=1S/C17H25NO/c1-13(2)11-16-10-9-14(3)18(16)17(12-19)15-7-5-4-6-8-15/h4-8,14,16-17,19H,1,9-12H2,2-3H3/p+1/t14-,16+,17-/m1/s1