N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C22H24ClN4O2+ MolecularWeight: 411.90456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CC[NH+](CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CC[NH+](CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN4O2/c1-26-22(29)19-5-3-2-4-18(19)20(25-26)21(28)24-17-10-12-27(13-11-17)14-15-6-8-16(23)9-7-15/h2-9,17H,10-14H2,1H3,(H,24,28)/p+1