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

Systemtic Name: [(2S)-heptan-2-yl]-[(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]azanium Openeye Name: [(1S)-1-methylhexyl]-[(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]ammonium CAS Name: [(2S)-heptan-2-yl]-[(2S)-3-methyl-2-(1-pyrrolidin-1-iumyl)butyl]ammonium IUPAC Name: [(2S)-heptan-2-yl]-[(2S)-3-methyl-2-pyrrolidin-1-ium-1-ylbutyl]azanium Traditional Name: [(1S)-1-methylhexyl]-[(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]ammonium Formula: C16H36N2+2 MolecularWeight: 256.47044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H34N2/c1-5-6-7-10-15(4)17-13-16(14(2)3)18-11-8-9-12-18/h14-17H,5-13H2,1-4H3/p+2/t15-,16+/m0/s1