[(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]-(3-methylsulfanylpropyl)azanium

Systemtic Name: [(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]-(3-methylsulfanylpropyl)azanium Openeye Name: [(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]-(3-methylsulfanylpropyl)ammonium CAS Name: [(2S)-3-methyl-2-(1-pyrrolidin-1-iumyl)butyl]-[3-(methylthio)propyl]ammonium IUPAC Name: [(2S)-3-methyl-2-pyrrolidin-1-ium-1-ylbutyl]-(3-methylsulfanylpropyl)azanium Traditional Name: [(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]-[3-(methylthio)propyl]ammonium Formula: C13H30N2S+2 MolecularWeight: 246.4557

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C[NH2+]CCCSC)[NH+]1CCCC1

Isomeric SMILES

CC(C)[C@@H](C[NH2+]CCCSC)[NH+]1CCCC1

InChI

InChI=1S/C13H28N2S/c1-12(2)13(15-8-4-5-9-15)11-14-7-6-10-16-3/h12-14H,4-11H2,1-3H3/p+2/t13-/m1/s1