methyl-[(1S)-2-[(3S)-3-oxidanylpyrrolidin-1-ium-1-yl]-1-phenyl-ethyl]azanium

Systemtic Name: methyl-[(1S)-2-[(3S)-3-oxidanylpyrrolidin-1-ium-1-yl]-1-phenyl-ethyl]azanium Openeye Name: [(1S)-2-[(3S)-3-hydroxypyrrolidin-1-ium-1-yl]-1-phenyl-ethyl]-methyl-ammonium CAS Name: [(1S)-2-[(3S)-3-hydroxy-1-pyrrolidin-1-iumyl]-1-phenylethyl]-methylammonium IUPAC Name: [(1S)-2-[(3S)-3-hydroxypyrrolidin-1-ium-1-yl]-1-phenylethyl]-methylazanium Traditional Name: [(1S)-2-[(3S)-3-hydroxypyrrolidin-1-ium-1-yl]-1-phenyl-ethyl]-methyl-ammonium Formula: C13H22N2O+2 MolecularWeight: 222.32658

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C(C[NH+]1CCC(C1)O)C2=CC=CC=C2

Isomeric SMILES

C[NH2+][C@H](C[NH+]1CC[C@@H](C1)O)C2=CC=CC=C2

InChI

InChI=1S/C13H20N2O/c1-14-13(11-5-3-2-4-6-11)10-15-8-7-12(16)9-15/h2-6,12-14,16H,7-10H2,1H3/p+2/t12-,13+/m0/s1