[(2S)-3-methyl-1-[(2-methyl-2-pyrrolidin-1-ium-1-yl-propyl)amino]-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-3-methyl-1-[(2-methyl-2-pyrrolidin-1-ium-1-yl-propyl)amino]-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-2-methyl-1-[(2-methyl-2-pyrrolidin-1-ium-1-yl-propyl)carbamoyl]propyl]ammonium CAS Name: [(2S)-3-methyl-1-[[2-methyl-2-(1-pyrrolidin-1-iumyl)propyl]amino]-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-3-methyl-1-[(2-methyl-2-pyrrolidin-1-ium-1-ylpropyl)amino]-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-2-methyl-1-[(2-methyl-2-pyrrolidin-1-ium-1-yl-propyl)carbamoyl]propyl]ammonium Formula: C13H29N3O+2 MolecularWeight: 243.38886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(C)(C)[NH+]1CCCC1)[NH3+]

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC(C)(C)[NH+]1CCCC1)[NH3+]

InChI

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