3-[(3-methylphenyl)-propanoyl-amino]propylazanium

Systemtic Name: 3-[(3-methylphenyl)-propanoyl-amino]propylazanium Openeye Name: 3-(3-methyl-N-propanoyl-anilino)propylammonium CAS Name: 3-[3-methyl-N-(1-oxopropyl)anilino]propylammonium IUPAC Name: 3-(3-methyl-N-propanoylanilino)propylazanium Traditional Name: 3-(3-methyl-N-propionyl-anilino)propylammonium Formula: C13H21N2O+ MolecularWeight: 221.31864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O/c1-3-13(16)15(9-5-8-14)12-7-4-6-11(2)10-12/h4,6-7,10H,3,5,8-9,14H2,1-2H3/p+1