3-(3-azaniumylpropanoylamino)propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-(3-azaniumylpropanoylamino)propyl-methyl-(phenylmethyl)azanium Openeye Name: 3-(3-azaniumylpropanoylamino)propyl-benzyl-methyl-ammonium CAS Name: 3-[(3-ammonio-1-oxopropyl)amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: 3-(3-azaniumylpropanoylamino)propyl-benzyl-methylazanium Traditional Name: 3-(3-ammoniopropanoylamino)propyl-benzyl-methyl-ammonium Formula: C14H25N3O+2 MolecularWeight: 251.3678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O/c1-17(12-13-6-3-2-4-7-13)11-5-10-16-14(18)8-9-15/h2-4,6-7H,5,8-12,15H2,1H3,(H,16,18)/p+2