N-butyl-2-[4-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[2-(4-methyl-2-oxo-chromen-7-yl)oxyacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[2-(2-keto-4-methyl-chromen-7-yl)oxyacetyl]piperazin-1-ium-1-yl]acetamide Formula: C22H30N3O5+ MolecularWeight: 416.4907

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC3=C(C=C2)C(=CC(=O)O3)C

InChI

InChI=1S/C22H29N3O5/c1-3-4-7-23-20(26)14-24-8-10-25(11-9-24)21(27)15-29-17-5-6-18-16(2)12-22(28)30-19(18)13-17/h5-6,12-13H,3-4,7-11,14-15H2,1-2H3,(H,23,26)/p+1