N-butyl-2-[4-(2H-chromen-3-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-(2H-chromen-3-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-(2H-chromene-3-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[2H-1-benzopyran-3-yl(oxo)methyl]-1-piperazin-1-iumyl]-N-butylacetamide IUPAC Name: N-butyl-2-[4-(2H-chromene-3-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-(2H-chromene-3-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC3=CC=CC=C3OC2

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC3=CC=CC=C3OC2

InChI

InChI=1S/C20H27N3O3/c1-2-3-8-21-19(24)14-22-9-11-23(12-10-22)20(25)17-13-16-6-4-5-7-18(16)26-15-17/h4-7,13H,2-3,8-12,14-15H2,1H3,(H,21,24)/p+1