3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-N-(thiophen-2-ylmethyl)phthalazine-1-carboxamide

Systemtic Name: 3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-N-(thiophen-2-ylmethyl)phthalazine-1-carboxamide Openeye Name: 3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-N-(2-thienylmethyl)phthalazine-1-carboxamide CAS Name: 3-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-N-(thiophen-2-ylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-N-(thiophen-2-ylmethyl)phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-N-(2-thenyl)phthalazine-1-carboxamide Formula: C22H27N4O3S+ MolecularWeight: 427.53978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CCC[NH+]3CCOCC3)CC4=CC=CS4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N(CCC[NH+]3CCOCC3)CC4=CC=CS4

InChI

InChI=1S/C22H26N4O3S/c1-24-21(27)19-8-3-2-7-18(19)20(23-24)22(28)26(16-17-6-4-15-30-17)10-5-9-25-11-13-29-14-12-25/h2-4,6-8,15H,5,9-14,16H2,1H3/p+1