diazanium 4-[[2-butyl-5-[(Z)-3-oxidanidyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate

Systemtic Name: diazanium 4-[[2-butyl-5-[(Z)-3-oxidanidyl-3-oxidanylidene-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate Openeye Name: diammonium 4-[[2-butyl-5-[(Z)-3-oxido-3-oxo-2-(2-thienylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate CAS Name: diammonium 4-[[2-butyl-5-[(Z)-3-oxido-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]-1-imidazolyl]methyl]benzoate IUPAC Name: diazanium 4-[[2-butyl-5-[(Z)-3-oxido-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate Traditional Name: diammonium 4-[[2-butyl-5-[(Z)-3-keto-3-oxido-2-(2-thenyl)prop-1-enyl]imidazol-1-yl]methyl]benzoate Formula: C23H30N4O4S MolecularWeight: 458.5737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)[O-])C=C(CC3=CC=CS3)C(=O)[O-].[NH4+].[NH4+]

Isomeric SMILES

CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)[O-])/C=C(/CC3=CC=CS3)\C(=O)[O-].[NH4+].[NH4+]

InChI

InChI=1S/C23H24N2O4S.2H3N/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27;;/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29);2*1H3/b18-12-;;