tert-butyl N-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]carbamate

Systemtic Name: tert-butyl N-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]carbamate Openeye Name: tert-butyl N-[4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxo-butyl]carbamate CAS Name: N-[4-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-4-oxobutyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxobutyl]carbamate Traditional Name: N-[4-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-4-keto-butyl]carbamic acid tert-butyl ester Formula: C22H34N3O4+ MolecularWeight: 404.52306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCC3

InChI

InChI=1S/C22H33N3O4/c1-22(2,3)29-21(27)23-9-4-5-20(26)25-12-10-24(11-13-25)16-17-6-7-19-18(15-17)8-14-28-19/h6-7,15H,4-5,8-14,16H2,1-3H3,(H,23,27)/p+1