[(2S)-4-methylpentan-2-yl]-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]azanium

Systemtic Name: [(2S)-4-methylpentan-2-yl]-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]azanium Openeye Name: [(1S)-1,3-dimethylbutyl]-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium CAS Name: [(2S)-4-methylpentan-2-yl]-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2S)-4-methylpentan-2-yl]-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]azanium Traditional Name: [(1S)-1,3-dimethylbutyl]-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium Formula: C18H32N2+2 MolecularWeight: 276.46008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2/c1-15(2)13-16(3)19-14-18(20-11-7-8-12-20)17-9-5-4-6-10-17/h4-6,9-10,15-16,18-19H,7-8,11-14H2,1-3H3/p+2/t16-,18-/m0/s1