2-[2-nitro-5-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)phenyl]-4-phenyl-phthalazin-1-one

Systemtic Name: 2-[2-nitro-5-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)phenyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[2-nitro-5-(4-pyrrolidin-1-ium-1-yl-1-piperidyl)phenyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[2-nitro-5-[4-(1-pyrrolidin-1-iumyl)-1-piperidinyl]phenyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[2-nitro-5-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)phenyl]-4-phenylphthalazin-1-one Traditional Name: 2-[2-nitro-5-(4-pyrrolidin-1-ium-1-ylpiperidino)phenyl]-4-phenyl-phthalazin-1-one Formula: C29H30N5O3+ MolecularWeight: 496.5802

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C(=N4)C6=CC=CC=C6

Isomeric SMILES

C1CC[NH+](C1)C2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4C(=O)C5=CC=CC=C5C(=N4)C6=CC=CC=C6

InChI

InChI=1S/C29H29N5O3/c35-29-25-11-5-4-10-24(25)28(21-8-2-1-3-9-21)30-33(29)27-20-23(12-13-26(27)34(36)37)32-18-14-22(15-19-32)31-16-6-7-17-31/h1-5,8-13,20,22H,6-7,14-19H2/p+1