4-(benzo[g]quinolin-4-ylazaniumyl)butyl-diethyl-azanium; dihydrogen phosphate

Systemtic Name: 4-(benzo[g]quinolin-4-ylazaniumyl)butyl-diethyl-azanium; dihydrogen phosphate Openeye Name: 4-(benzo[g]quinolin-4-ylammonio)butyl-diethyl-ammonium; dihydrogen phosphate CAS Name: 4-(4-benzo[g]quinolinylammonio)butyl-diethylammonium; dihydrogen phosphate IUPAC Name: 4-(benzo[g]quinolin-4-ylazaniumyl)butyl-diethylazanium; dihydrogen phosphate Traditional Name: 4-(benzo[g]quinolin-4-ylammonio)butyl-diethyl-ammonium; dihydrogen phosphate Formula: C21H33N3O8P2 MolecularWeight: 517.449542

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC[NH2+]C1=CC=NC2=CC3=CC=CC=C3C=C12.OP(=O)(O)[O-].OP(=O)(O)[O-]

Isomeric SMILES

CC[NH+](CC)CCCC[NH2+]C1=CC=NC2=CC3=CC=CC=C3C=C12.OP(=O)(O)[O-].OP(=O)(O)[O-]

InChI

InChI=1S/C21H27N3.2H3O4P/c1-3-24(4-2)14-8-7-12-22-20-11-13-23-21-16-18-10-6-5-9-17(18)15-19(20)21;2*1-5(2,3)4/h5-6,9-11,13,15-16H,3-4,7-8,12,14H2,1-2H3,(H,22,23);2*(H3,1,2,3,4)