[4-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]phenyl]-phenyl-methanone

Systemtic Name: [4-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]phenyl]-phenyl-methanone Openeye Name: [4-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]phenyl]-phenyl-methanone CAS Name: [4-[4-(4-methyl-1-piperazine-1,4-diiumyl)butoxy]phenyl]-phenylmethanone IUPAC Name: [4-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]phenyl]-phenylmethanone Traditional Name: [4-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]phenyl]-phenyl-methanone Formula: C22H30N2O2+2 MolecularWeight: 354.4858

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCCOC2=CC=C(C=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCCOC2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O2/c1-23-14-16-24(17-15-23)13-5-6-18-26-21-11-9-20(10-12-21)22(25)19-7-3-2-4-8-19/h2-4,7-12H,5-6,13-18H2,1H3/p+2