3-[(2-azanyl-2-oxidanylidene-ethyl)azaniumyl]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[(2-azanyl-2-oxidanylidene-ethyl)azaniumyl]propyl-methyl-(phenylmethyl)azanium Openeye Name: 3-[(2-amino-2-oxo-ethyl)ammonio]propyl-benzyl-methyl-ammonium CAS Name: 3-[(2-amino-2-oxoethyl)ammonio]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: 3-[(2-amino-2-oxoethyl)azaniumyl]propyl-benzyl-methylazanium Traditional Name: 3-[(2-amino-2-keto-ethyl)ammonio]propyl-benzyl-methyl-ammonium Formula: C13H23N3O+2 MolecularWeight: 237.34122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O/c1-16(9-5-8-15-10-13(14)17)11-12-6-3-2-4-7-12/h2-4,6-7,15H,5,8-11H2,1H3,(H2,14,17)/p+2