3-[[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]azaniumyl]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]azaniumyl]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]ammonio]propyl]-methyl-ammonium CAS Name: 3-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]ammonio]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azaniumyl]propyl]-methylazanium Traditional Name: benzyl-[3-[[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]ammonio]propyl]-methyl-ammonium Formula: C16H29N3O+2 MolecularWeight: 279.42096

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)[NH2+]CCC[NH+](C)CC1=CC=CC=C1

Isomeric SMILES

CCNC(=O)[C@H](C)[NH2+]CCC[NH+](C)CC1=CC=CC=C1

InChI

InChI=1S/C16H27N3O/c1-4-17-16(20)14(2)18-11-8-12-19(3)13-15-9-6-5-7-10-15/h5-7,9-10,14,18H,4,8,11-13H2,1-3H3,(H,17,20)/p+2/t14-/m0/s1