methyl 2-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]piperazin-1-ium-1-yl]ethanoate

Systemtic Name: methyl 2-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)ethanoyl]piperazin-1-ium-1-yl]ethanoate Openeye Name: methyl 2-[1-[2-[4-(4-pyridyl)piperazin-1-yl]acetyl]piperazin-1-ium-1-yl]acetate CAS Name: 2-[1-[1-oxo-2-(4-pyridin-4-yl-1-piperazinyl)ethyl]-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]piperazin-1-ium-1-yl]acetate Traditional Name: 2-[1-[2-[4-(4-pyridyl)piperazino]acetyl]piperazin-1-ium-1-yl]acetic acid methyl ester Formula: C18H28N5O3+ MolecularWeight: 362.44662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1(CCNCC1)C(=O)CN2CCN(CC2)C3=CC=NC=C3

Isomeric SMILES

COC(=O)C[N+]1(CCNCC1)C(=O)CN2CCN(CC2)C3=CC=NC=C3

InChI

InChI=1S/C18H28N5O3/c1-26-18(25)15-23(12-6-20-7-13-23)17(24)14-21-8-10-22(11-9-21)16-2-4-19-5-3-16/h2-5,20H,6-15H2,1H3/q+1