3-[[2-(dicyclohexylamino)-2-oxidanylidene-ethyl]-(4-nitrophenyl)carbonyl-amino]propyl-diethyl-azanium

Systemtic Name: 3-[[2-(dicyclohexylamino)-2-oxidanylidene-ethyl]-(4-nitrophenyl)carbonyl-amino]propyl-diethyl-azanium Openeye Name: 3-[[2-(dicyclohexylamino)-2-oxo-ethyl]-(4-nitrobenzoyl)amino]propyl-diethyl-ammonium CAS Name: 3-[[2-(dicyclohexylamino)-2-oxoethyl]-[(4-nitrophenyl)-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[2-(dicyclohexylamino)-2-oxoethyl]-(4-nitrobenzoyl)amino]propyl-diethylazanium Traditional Name: 3-[[2-(dicyclohexylamino)-2-keto-ethyl]-(4-nitrobenzoyl)amino]propyl-diethyl-ammonium Formula: C28H45N4O4+ MolecularWeight: 501.6813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN(CC(=O)N(C1CCCCC1)C2CCCCC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCCN(CC(=O)N(C1CCCCC1)C2CCCCC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C28H44N4O4/c1-3-29(4-2)20-11-21-30(28(34)23-16-18-26(19-17-23)32(35)36)22-27(33)31(24-12-7-5-8-13-24)25-14-9-6-10-15-25/h16-19,24-25H,3-15,20-22H2,1-2H3/p+1