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

Systemtic Name: 2-phenyl-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-phenyl-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-phenyl-1-phthalazinone IUPAC Name: 2-phenyl-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-phenyl-4-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C25H30N5O2+ MolecularWeight: 432.538

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O2/c31-24-22-11-5-4-10-21(22)23(26-30(24)20-8-2-1-3-9-20)25(32)29-18-16-28(17-19-29)15-14-27-12-6-7-13-27/h1-5,8-11H,6-7,12-19H2/p+1