[4-[(2S)-2-oxidanyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propoxy]phenyl]-phenyl-methanone

Systemtic Name: [4-[(2S)-2-oxidanyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propoxy]phenyl]-phenyl-methanone Openeye Name: [4-[(2S)-2-hydroxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propoxy]phenyl]-phenyl-methanone CAS Name: [4-[(2S)-2-hydroxy-3-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propoxy]phenyl]-phenylmethanone IUPAC Name: [4-[(2S)-2-hydroxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propoxy]phenyl]-phenylmethanone Traditional Name: [4-[(2S)-2-hydroxy-3-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propoxy]phenyl]-phenyl-methanone Formula: C25H29N3O3+2 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)O)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)O)C4=CC=CC=[NH+]4

InChI

InChI=1S/C25H27N3O3/c29-22(18-27-14-16-28(17-15-27)24-8-4-5-13-26-24)19-31-23-11-9-21(10-12-23)25(30)20-6-2-1-3-7-20/h1-13,22,29H,14-19H2/p+2/t22-/m0/s1