(3S)-3-(3,5-dimethylphenoxy)pyrrolidin-1-ium

Systemtic Name: (3S)-3-(3,5-dimethylphenoxy)pyrrolidin-1-ium Openeye Name: (3S)-3-(3,5-dimethylphenoxy)pyrrolidin-1-ium CAS Name: (3S)-3-(3,5-dimethylphenoxy)pyrrolidin-1-ium IUPAC Name: (3S)-3-(3,5-dimethylphenoxy)pyrrolidin-1-ium Traditional Name: (3S)-3-(3,5-dimethylphenoxy)pyrrolidin-1-ium Formula: C12H18NO+ MolecularWeight: 192.27742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO/c1-9-5-10(2)7-12(6-9)14-11-3-4-13-8-11/h5-7,11,13H,3-4,8H2,1-2H3/p+1/t11-/m0/s1