(2S)-2-(2,4-dimethylphenyl)pyrrolidin-1-ium

Systemtic Name: (2S)-2-(2,4-dimethylphenyl)pyrrolidin-1-ium Openeye Name: (2S)-2-(2,4-dimethylphenyl)pyrrolidin-1-ium CAS Name: (2S)-2-(2,4-dimethylphenyl)pyrrolidin-1-ium IUPAC Name: (2S)-2-(2,4-dimethylphenyl)pyrrolidin-1-ium Traditional Name: (2S)-2-(2,4-dimethylphenyl)pyrrolidin-1-ium Formula: C12H18N+ MolecularWeight: 176.27802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2CCC[NH2+]2)C

Isomeric SMILES

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

InChI

InChI=1S/C12H17N/c1-9-5-6-11(10(2)8-9)12-4-3-7-13-12/h5-6,8,12-13H,3-4,7H2,1-2H3/p+1/t12-/m0/s1