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

Systemtic Name: 4-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3H-phthalazine-1-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-oxo-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3H-phthalazine-1-carboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-keto-3H-phthalazine-1-carboxamide Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=NNC(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=NNC(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2/c26-20-18-9-5-4-8-17(18)19(23-24-20)21(27)22-16-10-12-25(13-11-16)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,22,27)(H,24,26)/p+1