N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-oxo-3-phenyl-phthalazine-1-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-phenyl-phthalazine-1-carboxamide Formula: C29H31N4O3+ MolecularWeight: 483.58144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)[NH+]5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)[NH+]5CCCCC5

InChI

InChI=1S/C29H30N4O3/c1-36-23-16-14-21(15-17-23)26(32-18-8-3-9-19-32)20-30-28(34)27-24-12-6-7-13-25(24)29(35)33(31-27)22-10-4-2-5-11-22/h2,4-7,10-17,26H,3,8-9,18-20H2,1H3,(H,30,34)/p+1/t26-/m0/s1