cyclobutane; diethyl-heptyl-(4-nitrophenyl)azanium; bromide

Systemtic Name: cyclobutane; diethyl-heptyl-(4-nitrophenyl)azanium; bromide Openeye Name: cyclobutane; diethyl-heptyl-(4-nitrophenyl)ammonium; bromide CAS Name: cyclobutane; diethyl-heptyl-(4-nitrophenyl)ammonium; bromide IUPAC Name: cyclobutane; diethyl-heptyl-(4-nitrophenyl)azanium; bromide Traditional Name: cyclobutane; diethyl-heptyl-(4-nitrophenyl)ammonium; bromide Formula: C21H37BrN2O2 MolecularWeight: 429.43468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](CC)(CC)C1=CC=C(C=C1)[N+](=O)[O-].C1CCC1.[Br-]

Isomeric SMILES

CCCCCCC[N+](CC)(CC)C1=CC=C(C=C1)[N+](=O)[O-].C1CCC1.[Br-]

InChI

InChI=1S/C17H29N2O2.C4H8.BrH/c1-4-7-8-9-10-15-19(5-2,6-3)17-13-11-16(12-14-17)18(20)21;1-2-4-3-1;/h11-14H,4-10,15H2,1-3H3;1-4H2;1H/q+1;;/p-1