dimethyl-[3-[[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]amino]propyl]azanium

Systemtic Name: dimethyl-[3-[[(2S)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]amino]propyl]azanium Openeye Name: 3-[[(1S)-2-(isopentylamino)-1-methyl-2-oxo-ethyl]amino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[(2S)-1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]propyl]azanium Traditional Name: 3-[[(1S)-2-(isoamylamino)-2-keto-1-methyl-ethyl]amino]propyl-dimethyl-ammonium Formula: C13H30N3O+ MolecularWeight: 244.3968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(C)NCCC[NH+](C)C

Isomeric SMILES

C[C@@H](C(=O)NCCC(C)C)NCCC[NH+](C)C

InChI

InChI=1S/C13H29N3O/c1-11(2)7-9-15-13(17)12(3)14-8-6-10-16(4)5/h11-12,14H,6-10H2,1-5H3,(H,15,17)/p+1/t12-/m0/s1