3-[[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]azaniumyl]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]azaniumyl]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[3-[[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]ammonio]propyl]ammonium CAS Name: 3-[[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]ammonio]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]azaniumyl]propyl]-methylazanium Traditional Name: benzyl-[3-[[2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl]ammonio]propyl]-methyl-ammonium Formula: C17H31N3O+2 MolecularWeight: 293.44754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3O/c1-4-15(2)19-17(21)13-18-11-8-12-20(3)14-16-9-6-5-7-10-16/h5-7,9-10,15,18H,4,8,11-14H2,1-3H3,(H,19,21)/p+2/t15-/m0/s1