[(Z)-4-(4-bromophenyl)but-2-enyl]-diethyl-heptyl-azanium; dihydrogen phosphate

Systemtic Name: [(Z)-4-(4-bromophenyl)but-2-enyl]-diethyl-heptyl-azanium; dihydrogen phosphate Openeye Name: [(Z)-4-(4-bromophenyl)but-2-enyl]-diethyl-heptyl-ammonium; dihydrogen phosphate CAS Name: [(Z)-4-(4-bromophenyl)but-2-enyl]-diethyl-heptylammonium; dihydrogen phosphate IUPAC Name: [(Z)-4-(4-bromophenyl)but-2-enyl]-diethyl-heptylazanium; dihydrogen phosphate Traditional Name: [(Z)-4-(4-bromophenyl)but-2-enyl]-diethyl-heptyl-ammonium; dihydrogen phosphate Formula: C21H37BrNO4P MolecularWeight: 478.400541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](CC)(CC)CC=CCC1=CC=C(C=C1)Br.OP(=O)(O)[O-]

Isomeric SMILES

CCCCCCC[N+](CC)(CC)C/C=C\CC1=CC=C(C=C1)Br.OP(=O)(O)[O-]

InChI

InChI=1S/C21H35BrN.H3O4P/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20;1-5(2,3)4/h10,12,14-17H,4-9,11,13,18-19H2,1-3H3;(H3,1,2,3,4)/q+1;/p-1/b12-10-;