1-(1,1-dimethyl-3-phenyl-pyrrolidin-1-ium-3-yl)-N,N-dimethyl-methanamine; 4-methylbenzenesulfonate; hydrochloride

Systemtic Name: 1-(1,1-dimethyl-3-phenyl-pyrrolidin-1-ium-3-yl)-N,N-dimethyl-methanamine; 4-methylbenzenesulfonate; hydrochloride Openeye Name: 1-(1,1-dimethyl-3-phenyl-pyrrolidin-1-ium-3-yl)-N,N-dimethyl-methanamine; 4-methylbenzenesulfonate; hydrochloride CAS Name: 1-(1,1-dimethyl-3-phenyl-3-pyrrolidin-1-iumyl)-N,N-dimethylmethanamine; 4-methylbenzenesulfonate; hydrochloride IUPAC Name: 1-(1,1-dimethyl-3-phenylpyrrolidin-1-ium-3-yl)-N,N-dimethylmethanamine; 4-methylbenzenesulfonate; hydrochloride Traditional Name: (1,1-dimethyl-3-phenyl-pyrrolidin-1-ium-3-yl)methyl-dimethyl-amine tosylate hydrochloride Formula: C22H33ClN2O3S MolecularWeight: 441.02702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN(C)CC1(CC[N+](C1)(C)C)C2=CC=CC=C2.Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN(C)CC1(CC[N+](C1)(C)C)C2=CC=CC=C2.Cl

InChI

InChI=1S/C15H25N2.C7H8O3S.ClH/c1-16(2)12-15(10-11-17(3,4)13-15)14-8-6-5-7-9-14;1-6-2-4-7(5-3-6)11(8,9)10;/h5-9H,10-13H2,1-4H3;2-5H,1H3,(H,8,9,10);1H/q+1;;/p-1