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

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-3-phenyl-N-(thiophen-2-ylmethyl)phthalazine-1-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-3-phenyl-N-(2-thienylmethyl)phthalazine-1-carboxamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-3-phenyl-N-(thiophen-2-ylmethyl)-1-phthalazinecarboxamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-3-phenyl-N-(thiophen-2-ylmethyl)phthalazine-1-carboxamide Traditional Name: 4-keto-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-N-(2-thenyl)phthalazine-1-carboxamide Formula: C27H29N4O3S+ MolecularWeight: 489.60916

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN(CC2=CC=CS2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1CCCN(CC2=CC=CS2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O3S/c32-26-24-12-5-4-11-23(24)25(28-31(26)21-8-2-1-3-9-21)27(33)30(20-22-10-6-19-35-22)14-7-13-29-15-17-34-18-16-29/h1-6,8-12,19H,7,13-18,20H2/p+1