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4-[4-[3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]phenyl]butan-2-one
4-[4-[3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]phenyl]butan-2-one
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Descriptors Computed from Structure
Canonical SMILES:
CC(=O)CCC1=CC=C(C=C1)OCCC[NH+]2CC[NH+](CC2)C
Isomeric SMILES
CC(=O)CCC1=CC=C(C=C1)OCCC[NH+]2CC[NH+](CC2)C
InChI
InChI=1S/C18H28N2O2/c1-16(21)4-5-17-6-8-18(9-7-17)22-15-3-10-20-13-11-19(2)12-14-20/h6-9H,3-5,10-15H2,1-2H3/p+2
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