2-[[1-[(2S)-3-naphthalen-2-yloxy-2-oxidanyl-propyl]piperidin-1-ium-4-yl]methyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[[1-[(2S)-3-naphthalen-2-yloxy-2-oxidanyl-propyl]piperidin-1-ium-4-yl]methyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[[1-[(2S)-2-hydroxy-3-(2-naphthyloxy)propyl]piperidin-1-ium-4-yl]methyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[[1-[(2S)-2-hydroxy-3-(2-naphthalenyloxy)propyl]-4-piperidin-1-iumyl]methyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[[1-[(2S)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperidin-1-ium-4-yl]methyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[[1-[(2S)-2-hydroxy-3-(2-naphthoxy)propyl]piperidin-1-ium-4-yl]methyl]benzo[de]isoquinoline-1,3-quinone Formula: C31H31N2O4+ MolecularWeight: 495.58884

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC(COC5=CC6=CC=CC=C6C=C5)O

Isomeric SMILES

C1C[NH+](CCC1CN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C[C@@H](COC5=CC6=CC=CC=C6C=C5)O

InChI

InChI=1S/C31H30N2O4/c34-25(20-37-26-12-11-22-5-1-2-6-24(22)17-26)19-32-15-13-21(14-16-32)18-33-30(35)27-9-3-7-23-8-4-10-28(29(23)27)31(33)36/h1-12,17,21,25,34H,13-16,18-20H2/p+1/t25-/m0/s1