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

Systemtic Name: [4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylphenyl] propanoate Openeye Name: [4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl] propanoate CAS Name: propanoic acid [4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]phenyl] ester IUPAC Name: [4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl] propanoate Traditional Name: propionic acid [4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)phenyl] ester Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3/c1-2-18(23)25-16-8-6-15(7-9-16)19(24)22-13-11-21(12-14-22)17-5-3-4-10-20-17/h3-10H,2,11-14H2,1H3/p+1