N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-4-yl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidin-1-iumyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-1-ium-4-yl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)piperidin-1-ium-4-yl]-4-keto-3H-phthalazine-1-carboxamide Formula: C16H20N5O3+ MolecularWeight: 330.3617

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=NNC(=O)C3=CC=CC=C32)CC(=O)N

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=NNC(=O)C3=CC=CC=C32)CC(=O)N

InChI

InChI=1S/C16H19N5O3/c17-13(22)9-21-7-5-10(6-8-21)18-16(24)14-11-3-1-2-4-12(11)15(23)20-19-14/h1-4,10H,5-9H2,(H2,17,22)(H,18,24)(H,20,23)/p+1