4-oxidanylidene-3-propyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-propyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-propyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]phthalazine-1-carboxamide CAS Name: 4-oxo-3-propyl-N-[(1-propyl-4-piperidin-1-iumylidene)amino]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-propyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]phthalazine-1-carboxamide Traditional Name: 4-keto-3-propyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]phthalazine-1-carboxamide Formula: C20H28N5O2+ MolecularWeight: 370.46862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(=NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCC)CC1

Isomeric SMILES

CCC[NH+]1CCC(=NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCC)CC1

InChI

InChI=1S/C20H27N5O2/c1-3-11-24-13-9-15(10-14-24)21-22-19(26)18-16-7-5-6-8-17(16)20(27)25(23-18)12-4-2/h5-8H,3-4,9-14H2,1-2H3,(H,22,26)/p+1