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

Systemtic Name: 3-methyl-4-oxidanylidene-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]phthalazine-1-carboxamide Openeye Name: 3-methyl-4-oxo-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]phthalazine-1-carboxamide CAS Name: 3-methyl-4-oxo-N-[(1-propyl-4-piperidin-1-iumylidene)amino]-1-phthalazinecarboxamide IUPAC Name: 3-methyl-4-oxo-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]phthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[(1-propylpiperidin-1-ium-4-ylidene)amino]phthalazine-1-carboxamide Formula: C18H24N5O2+ MolecularWeight: 342.41546

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)C)CC1

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O2/c1-3-10-23-11-8-13(9-12-23)19-20-17(24)16-14-6-4-5-7-15(14)18(25)22(2)21-16/h4-7H,3,8-12H2,1-2H3,(H,20,24)/p+1