tert-butyl N-[3-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]carbamate CAS Name: N-[3-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]-3-keto-propyl]carbamic acid tert-butyl ester Formula: C20H31FN3O4+ MolecularWeight: 396.476243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30FN3O4/c1-20(2,3)28-19(26)22-8-7-18(25)24-11-9-23(10-12-24)14-15-13-16(21)5-6-17(15)27-4/h5-6,13H,7-12,14H2,1-4H3,(H,22,26)/p+1