2-(phenylmethyl)-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]carbonyl-phthalazin-1-one

Systemtic Name: 2-(phenylmethyl)-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-benzyl-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[oxo-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]methyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 2-benzyl-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-benzyl-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C26H32N5O2+ MolecularWeight: 446.56458

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CCN2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C26H31N5O2/c32-25-23-11-5-4-10-22(23)24(27-31(25)20-21-8-2-1-3-9-21)26(33)30-18-16-29(17-19-30)15-14-28-12-6-7-13-28/h1-5,8-11H,6-7,12-20H2/p+1