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

Systemtic Name: 3-[[(2S)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]azaniumyl]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[(1S)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]ammonio]propyl]-methyl-ammonium CAS Name: 3-[[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]ammonio]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl]azaniumyl]propyl]-methylazanium Traditional Name: benzyl-[3-[[(1S)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl]ammonio]propyl]-methyl-ammonium Formula: C17H29N3O+2 MolecularWeight: 291.43166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH2+]CCC[NH+](C)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC1CC1)[NH2+]CCC[NH+](C)CC2=CC=CC=C2

InChI

InChI=1S/C17H27N3O/c1-14(17(21)19-16-9-10-16)18-11-6-12-20(2)13-15-7-4-3-5-8-15/h3-5,7-8,14,16,18H,6,9-13H2,1-2H3,(H,19,21)/p+2/t14-/m0/s1