1-[4-methoxy-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]ethanone

Systemtic Name: 1-[4-methoxy-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]ethanone Openeye Name: 1-[4-methoxy-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]ethanone CAS Name: 1-[4-methoxy-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[4-methoxy-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]ethanone Traditional Name: 1-[4-methoxy-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenyl]ethanone Formula: C19H25N3O2+2 MolecularWeight: 327.4207

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H23N3O2/c1-15(23)16-6-7-18(24-2)17(13-16)14-21-9-11-22(12-10-21)19-5-3-4-8-20-19/h3-8,13H,9-12,14H2,1-2H3/p+2