ethyl N-[4-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]carbamate

Systemtic Name: ethyl N-[4-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]carbamate Openeye Name: ethyl N-[4-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]carbamate CAS Name: N-[4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]carbamate Traditional Name: N-[4-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-carbonyl]phenyl]carbamic acid ethyl ester Formula: C22H27FN3O4+ MolecularWeight: 416.465883

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC

Isomeric SMILES

CCOC(=O)NC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C22H26FN3O4/c1-3-30-22(28)24-19-7-4-16(5-8-19)21(27)26-12-10-25(11-13-26)15-17-14-18(23)6-9-20(17)29-2/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,28)/p+1