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

Systemtic Name: tert-butyl N-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]carbamate CAS Name: N-[3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-3-keto-propyl]carbamic acid tert-butyl ester Formula: C21H32N3O4+ MolecularWeight: 390.49648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O4/c1-21(2,3)28-20(26)22-8-6-19(25)24-11-9-23(10-12-24)15-16-4-5-18-17(14-16)7-13-27-18/h4-5,14H,6-13,15H2,1-3H3,(H,22,26)/p+1