2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazine-1,4-diium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(2-methoxy-5-methyl-benzyl)piperazine-1,4-diium-1-yl]-1-(4-phenylpiperazino)ethanone Formula: C25H36N4O2+2 MolecularWeight: 424.57894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H34N4O2/c1-21-8-9-24(31-2)22(18-21)19-26-10-12-27(13-11-26)20-25(30)29-16-14-28(15-17-29)23-6-4-3-5-7-23/h3-9,18H,10-17,19-20H2,1-2H3/p+2