[4-[3-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]phenoxy]piperidin-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [4-[3-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]phenoxy]piperidin-1-yl]-pyridin-3-yl-methanone Openeye Name: [4-[3-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]phenoxy]-1-piperidyl]-(3-pyridyl)methanone CAS Name: [4-[3-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]phenoxy]-1-piperidinyl]-(3-pyridinyl)methanone IUPAC Name: [4-[3-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]phenoxy]piperidin-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-[3-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]phenoxy]piperidino]-(3-pyridyl)methanone Formula: C27H31N4O4+ MolecularWeight: 475.55944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=CC(=C2)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)C(=O)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCC1OC2=CC=CC(=C2)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C27H30N4O4/c32-26(22-5-2-10-28-19-22)30-11-8-23(9-12-30)35-24-6-1-4-21(18-24)20-29-13-15-31(16-14-29)27(33)25-7-3-17-34-25/h1-7,10,17-19,23H,8-9,11-16,20H2/p+1