(2-methylfuran-3-yl)-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-yl]methanone

Systemtic Name: (2-methylfuran-3-yl)-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-yl]methanone Openeye Name: [(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-4-ium-1-yl)-1-piperidyl]-(2-methyl-3-furyl)methanone CAS Name: [(3R,4R)-3-hydroxy-4-(4-phenethyl-1-piperazin-4-iumyl)-1-piperidinyl]-(2-methyl-3-furanyl)methanone IUPAC Name: [(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-4-ium-1-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone Traditional Name: [(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-4-ium-1-yl)piperidino]-(2-methyl-3-furyl)methanone Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)N2CCC(C(C2)O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CO1)C(=O)N2CC[C@H]([C@@H](C2)O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H31N3O3/c1-18-20(9-16-29-18)23(28)26-11-8-21(22(27)17-26)25-14-12-24(13-15-25)10-7-19-5-3-2-4-6-19/h2-6,9,16,21-22,27H,7-8,10-15,17H2,1H3/p+1/t21-,22-/m1/s1