[(2S,3S)-3-methylpentan-2-yl]-[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]azanium

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

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2/c1-4-15(2)16(3)19-14-18(20-12-8-9-13-20)17-10-6-5-7-11-17/h5-7,10-11,15-16,18-19H,4,8-9,12-14H2,1-3H3/p+2/t15-,16-,18+/m0/s1