N-prop-2-enyl-2-[4-(4H-thieno[3,2-c]chromen-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-prop-2-enyl-2-[4-(4H-thieno[3,2-c]chromen-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-allyl-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[oxo(4H-thieno[3,2-c][1]benzopyran-2-yl)methyl]-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: N-prop-2-enyl-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-allyl-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3

Isomeric SMILES

C=CCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC3=C(S2)C4=CC=CC=C4OC3

InChI

InChI=1S/C21H23N3O3S/c1-2-7-22-19(25)13-23-8-10-24(11-9-23)21(26)18-12-15-14-27-17-6-4-3-5-16(17)20(15)28-18/h2-6,12H,1,7-11,13-14H2,(H,22,25)/p+1