N-(cyclopentylcarbamoyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(cyclopentylcarbamoyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(cyclopentylcarbamoyl)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(cyclopentylamino)-oxomethyl]-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(cyclopentylcarbamoyl)-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazin-1-ium-1-yl]-N-(cyclopentylcarbamoyl)acetamide Formula: C21H31N4O3+ MolecularWeight: 387.49584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

C1CCC(C1)NC(=O)NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C21H30N4O3/c26-20(23-21(27)22-18-3-1-2-4-18)15-25-10-8-24(9-11-25)14-16-5-6-19-17(13-16)7-12-28-19/h5-6,13,18H,1-4,7-12,14-15H2,(H2,22,23,26,27)/p+1