3-(azepan-1-ium-1-yl)-1-[4-[3-(azepan-1-ium-1-yl)propanoyl]phenyl]propan-1-one

Systemtic Name: 3-(azepan-1-ium-1-yl)-1-[4-[3-(azepan-1-ium-1-yl)propanoyl]phenyl]propan-1-one Openeye Name: 3-(azepan-1-ium-1-yl)-1-[4-[3-(azepan-1-ium-1-yl)propanoyl]phenyl]propan-1-one CAS Name: 3-(1-azepan-1-iumyl)-1-[4-[3-(1-azepan-1-iumyl)-1-oxopropyl]phenyl]-1-propanone IUPAC Name: 3-(azepan-1-ium-1-yl)-1-[4-[3-(azepan-1-ium-1-yl)propanoyl]phenyl]propan-1-one Traditional Name: 3-(azepan-1-ium-1-yl)-1-[4-[3-(azepan-1-ium-1-yl)propanoyl]phenyl]propan-1-one Formula: C24H38N2O2+2 MolecularWeight: 386.57072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCC(=O)C2=CC=C(C=C2)C(=O)CC[NH+]3CCCCCC3

Isomeric SMILES

C1CCC[NH+](CC1)CCC(=O)C2=CC=C(C=C2)C(=O)CC[NH+]3CCCCCC3

InChI

InChI=1S/C24H36N2O2/c27-23(13-19-25-15-5-1-2-6-16-25)21-9-11-22(12-10-21)24(28)14-20-26-17-7-3-4-8-18-26/h9-12H,1-8,13-20H2/p+2