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

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]phthalazine-1-carboxamide Formula: C30H33N4O3+ MolecularWeight: 497.60802

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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)CC4=CC=CC=C4)[NH+]5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)[NH+]5CCCCC5

InChI

InChI=1S/C30H32N4O3/c1-37-24-16-14-23(15-17-24)27(33-18-8-3-9-19-33)20-31-29(35)28-25-12-6-7-13-26(25)30(36)34(32-28)21-22-10-4-2-5-11-22/h2,4-7,10-17,27H,3,8-9,18-21H2,1H3,(H,31,35)/p+1/t27-/m0/s1