3-[(4-methoxyphenyl)carbonyl-propyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-methoxyphenyl)carbonyl-propyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(4-methoxybenzoyl)-propyl-amino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-methoxyphenyl)-oxomethyl]-propylamino]propyl-dimethylammonium IUPAC Name: 3-[(4-methoxybenzoyl)-propylamino]propyl-dimethylazanium Traditional Name: dimethyl-[3-[p-anisoyl(propyl)amino]propyl]ammonium Formula: C16H27N2O2+ MolecularWeight: 279.39778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC[NH+](C)C)C(=O)C1=CC=C(C=C1)OC

Isomeric SMILES

CCCN(CCC[NH+](C)C)C(=O)C1=CC=C(C=C1)OC

InChI

InChI=1S/C16H26N2O2/c1-5-11-18(13-6-12-17(2)3)16(19)14-7-9-15(20-4)10-8-14/h7-10H,5-6,11-13H2,1-4H3/p+1