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

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Formula: C21H22ClN2O4+ MolecularWeight: 401.86338

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC5=C(C(=C4)Cl)OCO5

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC5=C(C(=C4)Cl)OCO5

InChI

InChI=1S/C21H21ClN2O4/c22-17-10-16(11-19-20(17)28-13-27-19)21(25)24-6-4-23(5-7-24)12-14-1-2-18-15(9-14)3-8-26-18/h1-2,9-11H,3-8,12-13H2/p+1