(2S)-2-[(4-methoxy-2,5-dimethyl-phenyl)sulfonylmethyl]pyrrolidin-1-ium

Systemtic Name: (2S)-2-[(4-methoxy-2,5-dimethyl-phenyl)sulfonylmethyl]pyrrolidin-1-ium Openeye Name: (2S)-2-[(4-methoxy-2,5-dimethyl-phenyl)sulfonylmethyl]pyrrolidin-1-ium CAS Name: (2S)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylmethyl]pyrrolidin-1-ium IUPAC Name: (2S)-2-[(4-methoxy-2,5-dimethylphenyl)sulfonylmethyl]pyrrolidin-1-ium Traditional Name: (2S)-2-[(4-methoxy-2,5-dimethyl-phenyl)sulfonylmethyl]pyrrolidin-1-ium Formula: C14H22NO3S+ MolecularWeight: 284.39438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)CC2CCC[NH2+]2)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)C[C@@H]2CCC[NH2+]2)C)OC

InChI

InChI=1S/C14H21NO3S/c1-10-8-14(11(2)7-13(10)18-3)19(16,17)9-12-5-4-6-15-12/h7-8,12,15H,4-6,9H2,1-3H3/p+1/t12-/m0/s1