1-[2-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]phenyl]propan-1-one

Systemtic Name: 1-[2-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]phenyl]propan-1-one Openeye Name: 1-[2-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]phenyl]propan-1-one CAS Name: 1-[2-[4-(4-methyl-1-piperazine-1,4-diiumyl)butoxy]phenyl]-1-propanone IUPAC Name: 1-[2-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]phenyl]propan-1-one Traditional Name: 1-[2-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]phenyl]propan-1-one Formula: C18H30N2O2+2 MolecularWeight: 306.443

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC=C1OCCCC[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CCC(=O)C1=CC=CC=C1OCCCC[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C18H28N2O2/c1-3-17(21)16-8-4-5-9-18(16)22-15-7-6-10-20-13-11-19(2)12-14-20/h4-5,8-9H,3,6-7,10-15H2,1-2H3/p+2