[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl] ethanoate

Systemtic Name: [2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl] ethanoate Openeye Name: [2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl] acetate CAS Name: acetic acid [2-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl] ester IUPAC Name: [2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl] acetate Traditional Name: acetic acid [2-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl] ester Formula: C18H20N3O3+ MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(=O)OC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H19N3O3/c1-14(22)24-16-7-3-2-6-15(16)18(23)21-12-10-20(11-13-21)17-8-4-5-9-19-17/h2-9H,10-13H2,1H3/p+1