(2S,7S)-1,8-diphenyl-2,7-di(piperidin-1-ium-1-yl)octane-1,8-dione

Systemtic Name: (2S,7S)-1,8-diphenyl-2,7-di(piperidin-1-ium-1-yl)octane-1,8-dione Openeye Name: (2S,7S)-1,8-diphenyl-2,7-di(piperidin-1-ium-1-yl)octane-1,8-dione CAS Name: (2S,7S)-1,8-diphenyl-2,7-bis(1-piperidin-1-iumyl)octane-1,8-dione IUPAC Name: (2S,7S)-1,8-diphenyl-2,7-di(piperidin-1-ium-1-yl)octane-1,8-dione Traditional Name: (2S,7S)-1,8-diphenyl-2,7-di(piperidin-1-ium-1-yl)octane-1,8-dione Formula: C30H42N2O2+2 MolecularWeight: 462.66668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CCCCC(C(=O)C2=CC=CC=C2)[NH+]3CCCCC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CCCC[C@@H](C(=O)C2=CC=CC=C2)[NH+]3CCCCC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H40N2O2/c33-29(25-15-5-1-6-16-25)27(31-21-11-3-12-22-31)19-9-10-20-28(32-23-13-4-14-24-32)30(34)26-17-7-2-8-18-26/h1-2,5-8,15-18,27-28H,3-4,9-14,19-24H2/p+2/t27-,28-/m0/s1