[(3S,4R)-4-(hydroxymethyl)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]methylazanium

Systemtic Name: [(3S,4R)-4-(hydroxymethyl)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]methylazanium Openeye Name: [(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-1-ium-3-yl]methylammonium CAS Name: [(3S,4R)-4-(hydroxymethyl)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]methylammonium IUPAC Name: [(3S,4R)-1-benzyl-4-(hydroxymethyl)pyrrolidin-1-ium-3-yl]methylazanium Traditional Name: [(3S,4R)-1-benzyl-4-methylol-pyrrolidin-1-ium-3-yl]methylammonium Formula: C13H22N2O+2 MolecularWeight: 222.32658

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C[NH+]1CC2=CC=CC=C2)CO)C[NH3+]

Isomeric SMILES

C1[C@@H]([C@H](C[NH+]1CC2=CC=CC=C2)CO)C[NH3+]

InChI

InChI=1S/C13H20N2O/c14-6-12-8-15(9-13(12)10-16)7-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10,14H2/p+2/t12-,13+/m0/s1