3-[(2,5-dimethylphenyl)carbonyl-methyl-amino]propylazanium

Systemtic Name: 3-[(2,5-dimethylphenyl)carbonyl-methyl-amino]propylazanium Openeye Name: 3-[(2,5-dimethylbenzoyl)-methyl-amino]propylammonium CAS Name: 3-[[(2,5-dimethylphenyl)-oxomethyl]-methylamino]propylammonium IUPAC Name: 3-[(2,5-dimethylbenzoyl)-methylamino]propylazanium Traditional Name: 3-[(2,5-dimethylbenzoyl)-methyl-amino]propylammonium Formula: C13H21N2O+ MolecularWeight: 221.31864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)N(C)CCC[NH3+]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)N(C)CCC[NH3+]

InChI

InChI=1S/C13H20N2O/c1-10-5-6-11(2)12(9-10)13(16)15(3)8-4-7-14/h5-6,9H,4,7-8,14H2,1-3H3/p+1