methyl-[[4-[(2R,4S)-4-sulfanylpyrrolidin-1-ium-2-yl]phenyl]methyl]azanium dichloride

Systemtic Name: methyl-[[4-[(2R,4S)-4-sulfanylpyrrolidin-1-ium-2-yl]phenyl]methyl]azanium dichloride Openeye Name: methyl-[[4-[(2R,4S)-4-sulfanylpyrrolidin-1-ium-2-yl]phenyl]methyl]ammonium dichloride CAS Name: [4-[(2R,4S)-4-mercapto-2-pyrrolidin-1-iumyl]phenyl]methyl-methylammonium dichloride IUPAC Name: methyl-[[4-[(2R,4S)-4-sulfanylpyrrolidin-1-ium-2-yl]phenyl]methyl]azanium dichloride Traditional Name: [4-[(2R,4S)-4-mercaptopyrrolidin-1-ium-2-yl]benzyl]-methyl-ammonium dichloride Formula: C12H20Cl2N2S MolecularWeight: 295.2716

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]CC1=CC=C(C=C1)C2CC(C[NH2+]2)S.[Cl-].[Cl-]

Isomeric SMILES

C[NH2+]CC1=CC=C(C=C1)[C@H]2C[C@@H](C[NH2+]2)S.[Cl-].[Cl-]

InChI

InChI=1S/C12H18N2S.2ClH/c1-13-7-9-2-4-10(5-3-9)12-6-11(15)8-14-12;;/h2-5,11-15H,6-8H2,1H3;2*1H/t11-,12+;;/m0../s1