2-[4-[4-[2-(butoxycarbonylamino)ethyl]piperazin-1-yl]-1-ethyl-piperidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-[4-[2-(butoxycarbonylamino)ethyl]piperazin-1-yl]-1-ethyl-piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-[4-[2-(butoxycarbonylamino)ethyl]piperazin-1-yl]-1-ethyl-piperidin-1-ium-1-yl]acetate CAS Name: 2-[4-[4-[2-[[butoxy(oxo)methyl]amino]ethyl]-1-piperazinyl]-1-ethyl-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[4-[4-[2-(butoxycarbonylamino)ethyl]piperazin-1-yl]-1-ethylpiperidin-1-ium-1-yl]acetate Traditional Name: 2-[4-[4-[2-(butoxycarbonylamino)ethyl]piperazino]-1-ethyl-piperidin-1-ium-1-yl]acetate Formula: C20H38N4O4 MolecularWeight: 398.54012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NCCN1CCN(CC1)C2CC[N+](CC2)(CC)CC(=O)[O-]

Isomeric SMILES

CCCCOC(=O)NCCN1CCN(CC1)C2CC[N+](CC2)(CC)CC(=O)[O-]

InChI

InChI=1S/C20H38N4O4/c1-3-5-16-28-20(27)21-8-9-22-10-12-23(13-11-22)18-6-14-24(4-2,15-7-18)17-19(25)26/h18H,3-17H2,1-2H3,(H-,21,25,26,27)