(3S)-3-(2,3,5-trimethylphenoxy)pyrrolidin-1-ium

Systemtic Name: (3S)-3-(2,3,5-trimethylphenoxy)pyrrolidin-1-ium Openeye Name: (3S)-3-(2,3,5-trimethylphenoxy)pyrrolidin-1-ium CAS Name: (3S)-3-(2,3,5-trimethylphenoxy)pyrrolidin-1-ium IUPAC Name: (3S)-3-(2,3,5-trimethylphenoxy)pyrrolidin-1-ium Traditional Name: (3S)-3-(2,3,5-trimethylphenoxy)pyrrolidin-1-ium Formula: C13H20NO+ MolecularWeight: 206.304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC2CC[NH2+]C2)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)O[C@H]2CC[NH2+]C2)C)C

InChI

InChI=1S/C13H19NO/c1-9-6-10(2)11(3)13(7-9)15-12-4-5-14-8-12/h6-7,12,14H,4-5,8H2,1-3H3/p+1/t12-/m0/s1