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

Systemtic Name: [(2S)-pentan-2-yl]-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]azanium Openeye Name: [(1S)-1-methylbutyl]-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium CAS Name: [(2S)-pentan-2-yl]-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2S)-pentan-2-yl]-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]azanium Traditional Name: [(1S)-1-methylbutyl]-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium Formula: C17H30N2+2 MolecularWeight: 262.4335

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2/c1-3-9-15(2)18-14-17(19-12-7-8-13-19)16-10-5-4-6-11-16/h4-6,10-11,15,17-18H,3,7-9,12-14H2,1-2H3/p+2/t15-,17-/m0/s1