2-[2-[4-(4-piperidin-1-ylsulfonylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-[4-(4-piperidin-1-ylsulfonylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-[4-(1-piperidylsulfonyl)benzoyl]piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[4-[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]-1-piperazin-1-iumyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(4-piperidin-1-ylsulfonylbenzoyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[4-(4-piperidinosulfonylbenzoyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C30H33N4O5S+ MolecularWeight: 561.67182

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

InChI

InChI=1S/C30H32N4O5S/c35-28(23-10-12-24(13-11-23)40(38,39)33-14-2-1-3-15-33)32-19-16-31(17-20-32)18-21-34-29(36)25-8-4-6-22-7-5-9-26(27(22)25)30(34)37/h4-13H,1-3,14-21H2/p+1