2-ethyl-1-[4-[3-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]phenoxy]piperidin-1-yl]butan-1-one

Systemtic Name: 2-ethyl-1-[4-[3-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]phenoxy]piperidin-1-yl]butan-1-one Openeye Name: 2-ethyl-1-[4-[3-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]phenoxy]-1-piperidyl]butan-1-one CAS Name: 2-ethyl-1-[4-[3-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]phenoxy]-1-piperidinyl]-1-butanone IUPAC Name: 2-ethyl-1-[4-[3-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]phenoxy]piperidin-1-yl]butan-1-one Traditional Name: 2-ethyl-1-[4-[3-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]phenoxy]piperidino]butan-1-one Formula: C27H38N3O4+ MolecularWeight: 468.60832

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCC(CC1)OC2=CC=CC(=C2)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCC(CC)C(=O)N1CCC(CC1)OC2=CC=CC(=C2)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C27H37N3O4/c1-3-22(4-2)26(31)29-12-10-23(11-13-29)34-24-8-5-7-21(19-24)20-28-14-16-30(17-15-28)27(32)25-9-6-18-33-25/h5-9,18-19,22-23H,3-4,10-17,20H2,1-2H3/p+1