1-(methylamino)ethyl [1-(phenylmethyl)pyrrolidin-1-ium-1-yl]methanesulfonate

Systemtic Name: 1-(methylamino)ethyl [1-(phenylmethyl)pyrrolidin-1-ium-1-yl]methanesulfonate Openeye Name: 1-(methylamino)ethyl (1-benzylpyrrolidin-1-ium-1-yl)methanesulfonate CAS Name: [1-(phenylmethyl)-1-pyrrolidin-1-iumyl]methanesulfonic acid 1-(methylamino)ethyl ester IUPAC Name: 1-(methylamino)ethyl (1-benzylpyrrolidin-1-ium-1-yl)methanesulfonate Traditional Name: (1-benzylpyrrolidin-1-ium-1-yl)methanesulfonic acid 1-(methylamino)ethyl ester Formula: C15H25N2O3S+ MolecularWeight: 313.4356

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC)OS(=O)(=O)C[N+]1(CCCC1)CC2=CC=CC=C2

Isomeric SMILES

CC(NC)OS(=O)(=O)C[N+]1(CCCC1)CC2=CC=CC=C2

InChI

InChI=1S/C15H25N2O3S/c1-14(16-2)20-21(18,19)13-17(10-6-7-11-17)12-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3/q+1