4-(4-nitrophenyl)butyl-dipropyl-azanium benzoate

Systemtic Name: 4-(4-nitrophenyl)butyl-dipropyl-azanium benzoate Openeye Name: 4-(4-nitrophenyl)butyl-dipropyl-ammonium benzoate CAS Name: 4-(4-nitrophenyl)butyl-dipropylammonium benzoate IUPAC Name: 4-(4-nitrophenyl)butyl-dipropylazanium benzoate Traditional Name: 4-(4-nitrophenyl)butyl-dipropyl-ammonium benzoate Formula: C23H32N2O4 MolecularWeight: 400.51118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CCCCC1=CC=C(C=C1)[N+](=O)[O-].C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCC[NH+](CCC)CCCCC1=CC=C(C=C1)[N+](=O)[O-].C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C16H26N2O2.C7H6O2/c1-3-12-17(13-4-2)14-6-5-7-15-8-10-16(11-9-15)18(19)20;8-7(9)6-4-2-1-3-5-6/h8-11H,3-7,12-14H2,1-2H3;1-5H,(H,8,9)