3-[[5-(3,3-dimethylbutanoylamino)-2-pyrrolidin-1-yl-phenyl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[5-(3,3-dimethylbutanoylamino)-2-pyrrolidin-1-yl-phenyl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[5-(3,3-dimethylbutanoylamino)-2-pyrrolidin-1-yl-benzoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[5-[(3,3-dimethyl-1-oxobutyl)amino]-2-(1-pyrrolidinyl)phenyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[5-(3,3-dimethylbutanoylamino)-2-pyrrolidin-1-ylbenzoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[5-(3,3-dimethylbutanoylamino)-2-pyrrolidino-benzoyl]amino]propyl-dimethyl-ammonium Formula: C22H37N4O2+ MolecularWeight: 389.55478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC(=C(C=C1)N2CCCC2)C(=O)NCCC[NH+](C)C

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC(=C(C=C1)N2CCCC2)C(=O)NCCC[NH+](C)C

InChI

InChI=1S/C22H36N4O2/c1-22(2,3)16-20(27)24-17-9-10-19(26-13-6-7-14-26)18(15-17)21(28)23-11-8-12-25(4)5/h9-10,15H,6-8,11-14,16H2,1-5H3,(H,23,28)(H,24,27)/p+1