3-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-[(3R)-3-(5-methyl-2-furyl)butyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 3-[1-[(3R)-3-(5-methyl-2-furanyl)butyl]-4-piperidin-1-iumyl]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-[(3R)-3-(5-methyl-2-furyl)butyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazino)propan-1-one Formula: C27H40N3O2+ MolecularWeight: 438.6254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(C)CC[NH+]2CCC(CC2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(O1)[C@H](C)CC[NH+]2CCC(CC2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H39N3O2/c1-22(26-10-8-23(2)32-26)12-15-28-16-13-24(14-17-28)9-11-27(31)30-20-18-29(19-21-30)25-6-4-3-5-7-25/h3-8,10,22,24H,9,11-21H2,1-2H3/p+1/t22-/m1/s1