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

Systemtic Name: [(2S)-butan-2-yl]-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]azanium Openeye Name: [(1S)-1-methylpropyl]-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]azanium Traditional Name: [(1S)-1-methylpropyl]-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium Formula: C16H28N2+2 MolecularWeight: 248.40692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2/c1-3-14(2)17-13-16(18-11-7-8-12-18)15-9-5-4-6-10-15/h4-6,9-10,14,16-17H,3,7-8,11-13H2,1-2H3/p+2/t14-,16-/m0/s1