[(2S)-heptan-2-yl]-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]azanium

Systemtic Name: [(2S)-heptan-2-yl]-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]azanium Openeye Name: [(1S)-1-methylhexyl]-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium CAS Name: [(2S)-heptan-2-yl]-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2S)-heptan-2-yl]-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]azanium Traditional Name: [(1S)-1-methylhexyl]-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium Formula: C19H34N2+2 MolecularWeight: 290.48666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2/c1-3-4-6-11-17(2)20-16-19(21-14-9-10-15-21)18-12-7-5-8-13-18/h5,7-8,12-13,17,19-20H,3-4,6,9-11,14-16H2,1-2H3/p+2/t17-,19-/m0/s1