[3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl] ethanoate

Systemtic Name: [3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl] ethanoate Openeye Name: [3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl] acetate CAS Name: acetic acid [3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl] ester IUPAC Name: [3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl] acetate Traditional Name: acetic acid [3-(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(=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

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