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

Systemtic Name: 4-[4-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]phenyl]butan-2-one Openeye Name: 4-[4-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]phenyl]butan-2-one CAS Name: 4-[4-[4-(4-methyl-1-piperazine-1,4-diiumyl)butoxy]phenyl]-2-butanone IUPAC Name: 4-[4-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]phenyl]butan-2-one Traditional Name: 4-[4-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]phenyl]butan-2-one Formula: C19H32N2O2+2 MolecularWeight: 320.46958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O2/c1-17(22)5-6-18-7-9-19(10-8-18)23-16-4-3-11-21-14-12-20(2)13-15-21/h7-10H,3-6,11-16H2,1-2H3/p+2