(2S)-2-[(4-methoxy-3-methyl-phenyl)sulfonylmethyl]pyrrolidin-1-ium

Systemtic Name: (2S)-2-[(4-methoxy-3-methyl-phenyl)sulfonylmethyl]pyrrolidin-1-ium Openeye Name: (2S)-2-[(4-methoxy-3-methyl-phenyl)sulfonylmethyl]pyrrolidin-1-ium CAS Name: (2S)-2-[(4-methoxy-3-methylphenyl)sulfonylmethyl]pyrrolidin-1-ium IUPAC Name: (2S)-2-[(4-methoxy-3-methylphenyl)sulfonylmethyl]pyrrolidin-1-ium Traditional Name: (2S)-2-[(4-methoxy-3-methyl-phenyl)sulfonylmethyl]pyrrolidin-1-ium Formula: C13H20NO3S+ MolecularWeight: 270.3678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)CC2CCC[NH2+]2)OC

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3S/c1-10-8-12(5-6-13(10)17-2)18(15,16)9-11-4-3-7-14-11/h5-6,8,11,14H,3-4,7,9H2,1-2H3/p+1/t11-/m0/s1