2-azaniumylethyl-[(3-ethanoylphenyl)methyl]-dimethyl-azanium

Systemtic Name: 2-azaniumylethyl-[(3-ethanoylphenyl)methyl]-dimethyl-azanium Openeye Name: (3-acetylphenyl)methyl-(2-azaniumylethyl)-dimethyl-ammonium CAS Name: (3-acetylphenyl)methyl-(2-ammonioethyl)-dimethylammonium IUPAC Name: (3-acetylphenyl)methyl-(2-azaniumylethyl)-dimethylazanium Traditional Name: (3-acetylbenzyl)-(2-ammonioethyl)-dimethyl-ammonium Formula: C13H22N2O+2 MolecularWeight: 222.32658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C[N+](C)(C)CC[NH3+]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C[N+](C)(C)CC[NH3+]

InChI

InChI=1S/C13H21N2O/c1-11(16)13-6-4-5-12(9-13)10-15(2,3)8-7-14/h4-6,9H,7-8,10,14H2,1-3H3/q+1/p+1