[(2S,3S)-1-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylamino]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1CCC[NH+]1CC)[NH3+]

Isomeric SMILES

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

InChI

InChI=1S/C13H27N3O/c1-4-10(3)12(14)13(17)15-9-11-7-6-8-16(11)5-2/h10-12H,4-9,14H2,1-3H3,(H,15,17)/p+2/t10-,11-,12-/m0/s1