2-[4-[(E)-3-(6-chloranyl-2H-chromen-3-yl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[(E)-3-(6-chloranyl-2H-chromen-3-yl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[(E)-3-(6-chloro-2H-1-benzopyran-3-yl)-1-oxoprop-2-enyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[(E)-3-(6-chloro-2H-chromen-3-yl)prop-2-enoyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[(E)-3-(6-chloro-2H-chromen-3-yl)acryloyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C=CC3=CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)/C=C/C3=CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C21H24ClN3O3/c22-17-2-5-19-16(12-17)11-15(14-28-19)1-6-21(27)25-9-7-24(8-10-25)13-20(26)23-18-3-4-18/h1-2,5-6,11-12,18H,3-4,7-10,13-14H2,(H,23,26)/p+1/b6-1+