3-(2-azaniumylethanoylamino)propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-(2-azaniumylethanoylamino)propyl-methyl-(phenylmethyl)azanium Openeye Name: 3-[(2-azaniumylacetyl)amino]propyl-benzyl-methyl-ammonium CAS Name: 3-[(2-ammonio-1-oxoethyl)amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: 3-[(2-azaniumylacetyl)amino]propyl-benzyl-methylazanium Traditional Name: 3-[(2-ammonioacetyl)amino]propyl-benzyl-methyl-ammonium Formula: C13H23N3O+2 MolecularWeight: 237.34122

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)C[NH3+])CC1=CC=CC=C1

Isomeric SMILES

C[NH+](CCCNC(=O)C[NH3+])CC1=CC=CC=C1

InChI

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