[(2S)-butan-2-yl]-[(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]azanium Openeye Name: [(1S)-1-methylpropyl]-[(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]ammonium CAS Name: [(2S)-butan-2-yl]-[(2S)-3-methyl-2-(1-pyrrolidin-1-iumyl)butyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[(2S)-3-methyl-2-pyrrolidin-1-ium-1-ylbutyl]azanium Traditional Name: [(1S)-1-methylpropyl]-[(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]ammonium Formula: C13H30N2+2 MolecularWeight: 214.3907

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CC(C(C)C)[NH+]1CCCC1

Isomeric SMILES

CC[C@H](C)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1

InChI

InChI=1S/C13H28N2/c1-5-12(4)14-10-13(11(2)3)15-8-6-7-9-15/h11-14H,5-10H2,1-4H3/p+2/t12-,13+/m0/s1