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

Systemtic Name: diethyl-[(4S)-4-[[(2R)-1-(2-methylbutan-2-ylamino)-1-oxidanylidene-propan-2-yl]azaniumyl]pentyl]azanium Openeye Name: [(4S)-4-[[(1R)-2-(1,1-dimethylpropylamino)-1-methyl-2-oxo-ethyl]ammonio]pentyl]-diethyl-ammonium CAS Name: diethyl-[(4S)-4-[[(2R)-1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]ammonio]pentyl]ammonium IUPAC Name: diethyl-[(4S)-4-[[(2R)-1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]azaniumyl]pentyl]azanium Traditional Name: [(4S)-4-[[(1R)-2-(tert-amylamino)-2-keto-1-methyl-ethyl]ammonio]pentyl]-diethyl-ammonium Formula: C17H39N3O+2 MolecularWeight: 301.51106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H37N3O/c1-8-17(6,7)19-16(21)15(5)18-14(4)12-11-13-20(9-2)10-3/h14-15,18H,8-13H2,1-7H3,(H,19,21)/p+2/t14-,15+/m0/s1