1-[3-methoxy-4-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethoxy]phenyl]ethanone

Systemtic Name: 1-[3-methoxy-4-[2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethoxy]phenyl]ethanone Openeye Name: 1-[4-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[3-methoxy-4-[2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]ethoxy]phenyl]ethanone IUPAC Name: 1-[4-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[2-(4-benzylpiperazine-1,4-diium-1-yl)ethoxy]-3-methoxy-phenyl]ethanone Formula: C22H30N2O3+2 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OCC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C22H28N2O3/c1-18(25)20-8-9-21(22(16-20)26-2)27-15-14-23-10-12-24(13-11-23)17-19-6-4-3-5-7-19/h3-9,16H,10-15,17H2,1-2H3/p+2