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

Systemtic Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-[4-(propan-2-yloxymethyl)phenyl]methanone Openeye Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-[4-(isopropoxymethyl)phenyl]methanone CAS Name: [4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-[4-(propan-2-yloxymethyl)phenyl]methanone IUPAC Name: [4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-[4-(propan-2-yloxymethyl)phenyl]methanone Traditional Name: [4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-[4-(isopropoxymethyl)phenyl]methanone Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC(C)OCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C24H30N2O3/c1-18(2)29-17-19-3-6-21(7-4-19)24(27)26-12-10-25(11-13-26)16-20-5-8-23-22(15-20)9-14-28-23/h3-8,15,18H,9-14,16-17H2,1-2H3/p+1