diethyl-[(4S)-4-[[(2R)-1-(methylamino)-1-oxidanylidene-propan-2-yl]azaniumyl]pentyl]azanium

Systemtic Name: diethyl-[(4S)-4-[[(2R)-1-(methylamino)-1-oxidanylidene-propan-2-yl]azaniumyl]pentyl]azanium Openeye Name: diethyl-[(4S)-4-[[(1R)-1-methyl-2-(methylamino)-2-oxo-ethyl]ammonio]pentyl]ammonium CAS Name: diethyl-[(4S)-4-[[(2R)-1-(methylamino)-1-oxopropan-2-yl]ammonio]pentyl]ammonium IUPAC Name: diethyl-[(4S)-4-[[(2R)-1-(methylamino)-1-oxopropan-2-yl]azaniumyl]pentyl]azanium Traditional Name: diethyl-[(4S)-4-[[(1R)-2-keto-1-methyl-2-(methylamino)ethyl]ammonio]pentyl]ammonium Formula: C13H31N3O+2 MolecularWeight: 245.40474

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)[NH2+]C(C)C(=O)NC

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)[NH2+][C@H](C)C(=O)NC

InChI

InChI=1S/C13H29N3O/c1-6-16(7-2)10-8-9-11(3)15-12(4)13(17)14-5/h11-12,15H,6-10H2,1-5H3,(H,14,17)/p+2/t11-,12+/m0/s1