(5-chloranyl-2-methoxy-phenyl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (5-chloro-2-methoxy-phenyl)-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (5-chloro-2-methoxyphenyl)-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (5-chloro-2-methoxyphenyl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (5-chloro-2-methoxy-phenyl)-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Formula: C21H24ClN2O3+ MolecularWeight: 387.87986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C21H23ClN2O3/c1-26-20-5-3-17(22)13-18(20)21(25)24-9-7-23(8-10-24)14-15-2-4-19-16(12-15)6-11-27-19/h2-5,12-13H,6-11,14H2,1H3/p+1