3-methylsulfanylpropyl-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]azanium

Systemtic Name: 3-methylsulfanylpropyl-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]azanium Openeye Name: 3-methylsulfanylpropyl-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium CAS Name: 3-(methylthio)propyl-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: 3-methylsulfanylpropyl-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]azanium Traditional Name: 3-(methylthio)propyl-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium Formula: C16H28N2S+2 MolecularWeight: 280.47192

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH2+]CC(C1=CC=CC=C1)[NH+]2CCCC2

Isomeric SMILES

CSCCC[NH2+]C[C@@H](C1=CC=CC=C1)[NH+]2CCCC2

InChI

InChI=1S/C16H26N2S/c1-19-13-7-10-17-14-16(18-11-5-6-12-18)15-8-3-2-4-9-15/h2-4,8-9,16-17H,5-7,10-14H2,1H3/p+2/t16-/m0/s1