1-[3-methoxy-4-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]phenyl]ethanone

Systemtic Name: 1-[3-methoxy-4-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]phenyl]ethanone Openeye Name: 1-[3-methoxy-4-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]phenyl]ethanone CAS Name: 1-[3-methoxy-4-[4-(4-methyl-1-piperazine-1,4-diiumyl)butoxy]phenyl]ethanone IUPAC Name: 1-[3-methoxy-4-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]phenyl]ethanone Traditional Name: 1-[3-methoxy-4-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]phenyl]ethanone Formula: C18H30N2O3+2 MolecularWeight: 322.4424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O3/c1-15(21)16-6-7-17(18(14-16)22-3)23-13-5-4-8-20-11-9-19(2)10-12-20/h6-7,14H,4-5,8-13H2,1-3H3/p+2