4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methoxy]benzoate

Systemtic Name: 4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methoxy]benzoate Openeye Name: 4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methoxy]benzoate CAS Name: 4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methoxy]benzoate IUPAC Name: 4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methoxy]benzoate Traditional Name: 4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methoxy]benzoate Formula: C17H20N3O3+ MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1COC2=CC=C(C=C2)C(=O)[O-])C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1COC2=CC=C(C=C2)C(=O)[O-])C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H19N3O3/c21-17(22)14-4-6-15(7-5-14)23-13-19-9-11-20(12-10-19)16-3-1-2-8-18-16/h1-8H,9-13H2,(H,21,22)/p+1