(2R,5R)-2-ethyl-5-(phenylmethyl)pyrrolidin-1-ium; 4-methylbenzenesulfinate

Systemtic Name: (2R,5R)-2-ethyl-5-(phenylmethyl)pyrrolidin-1-ium; 4-methylbenzenesulfinate Openeye Name: (2R,5R)-2-benzyl-5-ethyl-pyrrolidin-1-ium; 4-methylbenzenesulfinate CAS Name: (2R,5R)-2-ethyl-5-(phenylmethyl)pyrrolidin-1-ium; 4-methylbenzenesulfinate IUPAC Name: (2R,5R)-2-benzyl-5-ethylpyrrolidin-1-ium; 4-methylbenzenesulfinate Traditional Name: (2R,5R)-2-benzyl-5-ethyl-pyrrolidin-1-ium; 4-methylbenzenesulfinate Formula: C20H27NO2S MolecularWeight: 345.49888

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC([NH2+]1)CC2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)[O-]

Isomeric SMILES

CC[C@@H]1CC[C@@H]([NH2+]1)CC2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)[O-]

InChI

InChI=1S/C13H19N.C7H8O2S/c1-2-12-8-9-13(14-12)10-11-6-4-3-5-7-11;1-6-2-4-7(5-3-6)10(8)9/h3-7,12-14H,2,8-10H2,1H3;2-5H,1H3,(H,8,9)/t12-,13-;/m1./s1