[(2S)-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S)-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-3-methyl-butyl]ammonium CAS Name: [(2S)-1-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methylamino]-4-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-4-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-3-methyl-butyl]ammonium Formula: C13H29N3O+2 MolecularWeight: 243.38886

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C(CC(C)C)[NH3+]

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)[C@H](CC(C)C)[NH3+]

InChI

InChI=1S/C13H27N3O/c1-4-16-7-5-6-11(16)9-15-13(17)12(14)8-10(2)3/h10-12H,4-9,14H2,1-3H3,(H,15,17)/p+2/t11-,12-/m0/s1