3-[(2-chloranyl-4,6-dimethyl-phenyl)-ethyl-amino]propylazanium

Systemtic Name: 3-[(2-chloranyl-4,6-dimethyl-phenyl)-ethyl-amino]propylazanium Openeye Name: 3-(2-chloro-N-ethyl-4,6-dimethyl-anilino)propylammonium CAS Name: 3-(2-chloro-N-ethyl-4,6-dimethylanilino)propylammonium IUPAC Name: 3-(2-chloro-N-ethyl-4,6-dimethylanilino)propylazanium Traditional Name: 3-(2-chloro-N-ethyl-4,6-dimethyl-anilino)propylammonium Formula: C13H22ClN2+ MolecularWeight: 241.78018

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC[NH3+])C1=C(C=C(C=C1Cl)C)C

Isomeric SMILES

CCN(CCC[NH3+])C1=C(C=C(C=C1Cl)C)C

InChI

InChI=1S/C13H21ClN2/c1-4-16(7-5-6-15)13-11(3)8-10(2)9-12(13)14/h8-9H,4-7,15H2,1-3H3/p+1