1-(azepan-1-yl)-2-[4-[5-[(4-methylphenoxy)methyl]furan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[5-[(4-methylphenoxy)methyl]furan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[5-[(4-methylphenoxy)methyl]furan-2-carbonyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[[5-[(4-methylphenoxy)methyl]-2-furanyl]-oxomethyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[5-[(4-methylphenoxy)methyl]furan-2-carbonyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[5-[(4-methylphenoxy)methyl]-2-furoyl]piperazin-1-ium-1-yl]ethanone Formula: C25H34N3O4+ MolecularWeight: 440.55516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C25H33N3O4/c1-20-6-8-21(9-7-20)31-19-22-10-11-23(32-22)25(30)28-16-14-26(15-17-28)18-24(29)27-12-4-2-3-5-13-27/h6-11H,2-5,12-19H2,1H3/p+1