N-butyl-2-[4-[2-oxidanylidene-2-(2-phenoxyethylamino)ethyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[2-oxidanylidene-2-(2-phenoxyethylamino)ethyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[2-oxo-2-(2-phenoxyethylamino)ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[2-oxo-2-(2-phenoxyethylamino)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[2-oxo-2-(2-phenoxyethylamino)ethyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[2-keto-2-(2-phenoxyethylamino)ethyl]piperazin-1-ium-1-yl]acetamide Formula: C20H33N4O3+ MolecularWeight: 377.50102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)CC(=O)NCCOC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)CC(=O)NCCOC2=CC=CC=C2

InChI

InChI=1S/C20H32N4O3/c1-2-3-9-21-19(25)16-23-11-13-24(14-12-23)17-20(26)22-10-15-27-18-7-5-4-6-8-18/h4-8H,2-3,9-17H2,1H3,(H,21,25)(H,22,26)/p+1