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

Systemtic Name: 3-(2-chloranylethanoylamino)propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[(2-chloroacetyl)amino]propyl]-methyl-ammonium CAS Name: 3-[(2-chloro-1-oxoethyl)amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[(2-chloroacetyl)amino]propyl]-methylazanium Traditional Name: benzyl-[3-[(2-chloroacetyl)amino]propyl]-methyl-ammonium Formula: C13H20ClN2O+ MolecularWeight: 255.7637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClN2O/c1-16(9-5-8-15-13(17)10-14)11-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,15,17)/p+1