4-[4-[4-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]butoxy]phenyl]butan-2-one

Systemtic Name: 4-[4-[4-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]butoxy]phenyl]butan-2-one Openeye Name: 4-[4-[4-(4-benzylpiperazine-1,4-diium-1-yl)butoxy]phenyl]butan-2-one CAS Name: 4-[4-[4-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]butoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[4-(4-benzylpiperazine-1,4-diium-1-yl)butoxy]phenyl]butan-2-one Traditional Name: 4-[4-[4-(4-benzylpiperazine-1,4-diium-1-yl)butoxy]phenyl]butan-2-one Formula: C25H36N2O2+2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCCCC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OCCCC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C25H34N2O2/c1-22(28)9-10-23-11-13-25(14-12-23)29-20-6-5-15-26-16-18-27(19-17-26)21-24-7-3-2-4-8-24/h2-4,7-8,11-14H,5-6,9-10,15-21H2,1H3/p+2